data_1v5u_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 1v5u _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 ' 10' ' ' TYR . . . . . 0.684 ' CD2' ' CD ' ' A' ' 105' ' ' ARG . 11.7 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.476 0.179 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.76 132.38 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.01 171.57 41.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -67.38 140.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mt -151.39 119.08 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.493 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 52.2 m-85 -89.64 167.56 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -139.11 138.48 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.8 m0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 128.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -87.98 120.94 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 165.18 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -98.89 105.93 18.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.9 m-30 -90.88 166.78 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' ARG . 10.1 t -137.48 110.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -88.59 83.77 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -78.35 118.28 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -88.16 -25.34 23.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -79.18 -34.32 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 2.5 mmtp -100.27 -13.79 18.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 50.02 51.09 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' NE2' HG12 ' A' ' 52' ' ' VAL . 9.6 mt-30 -139.55 164.38 30.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -112.52 106.85 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.8 mtm180 -110.75 120.35 42.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 52.8 p90 -125.01 130.06 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.1 m-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.41 HG12 ' NE2' ' A' ' 37' ' ' GLN . 5.6 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.24 97.24 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -60.04 103.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.0 mt -53.55 -25.85 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -10.11 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.24 18.46 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.6 t -98.39 124.95 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 42.5 mt-10 -77.78 -33.2 52.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.12 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.64 157.6 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.98 144.74 20.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.85 -173.11 49.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -111.5 159.29 33.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 0.799 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.96 121.75 6.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.9 p -102.97 -169.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -74.59 136.86 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.77 -39.2 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.74 166.48 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.71 38.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -93.81 24.62 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -101.2 -68.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 75' ' ' ASP . 7.5 p -59.22 166.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' N ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -103.42 -171.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.26 -31.35 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -82.72 52.59 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.26 -52.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 56.5 m-85 -47.94 131.75 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.18 127.29 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 143.3 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.1 t -114.51 119.26 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 130.64 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.46 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -136.33 -178.94 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.4 p -70.21 -43.13 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -61.42 -68.0 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -163.77 178.53 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.247 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.84 145.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -124.15 141.82 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -108.78 117.4 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -135.61 159.87 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 26.3 p -163.95 143.11 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -176.59 4.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.57 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.8 t0 174.56 150.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -60.93 -46.63 96.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.99 -59.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -39.53 -29.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' PRO . . . -75.09 -53.45 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' PRO . 29.3 mm-40 -47.02 -39.81 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.05 -36.01 82.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 22.7 m95 -63.3 -45.63 90.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.03 -64.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.83 -41.79 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.684 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 9.6 mtt-85 -61.0 -60.25 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.73 -43.66 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.33 -26.02 67.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -73.36 -7.2 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.476 0.179 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 19.0 pm0 -141.4 154.2 45.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.02 157.85 14.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -61.37 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 102' ' ' TRP . 9.8 mt -151.17 119.09 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 28.1 m-85 -86.69 128.02 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -113.75 108.05 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 9.6 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.5 108.83 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -86.03 114.5 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.73 156.43 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.61 131.08 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 2.8 m-30 -114.03 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' ARG . 60.0 t -138.44 127.69 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -101.46 85.16 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 1.8 t0 -67.25 146.03 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -121.0 -41.86 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -51.2 -43.61 61.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 7.6 mttp -117.29 7.83 12.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.8 p-80 40.38 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -152.61 169.55 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.27 104.11 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 37.9 mtt180 -107.76 126.57 52.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 40' ' ' TYR . 6.3 p90 -132.32 145.3 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.489 HG23 ' CE2' ' A' ' 89' ' ' TYR . 5.9 mt -135.53 100.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.32 100.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.07 -25.67 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.15 63.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -80.6 -14.16 58.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG23 ' CG2' ' A' ' 84' ' ' THR . 72.6 t -71.93 127.27 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.1 mm-40 -89.64 -29.43 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 167.62 163.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 157.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.55 143.97 23.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.96 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.789 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.95 -168.67 22.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.574 1.172 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -119.95 160.7 41.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.0 p -86.14 -179.17 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.28 128.12 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 97.71 24.71 11.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.25 162.24 23.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 127.13 10.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 56.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -140.1 -58.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.72 158.27 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.67 -178.69 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -74.58 -30.51 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.9 mtmm -82.35 52.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -153.84 -46.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 87.4 m-85 -54.21 131.27 41.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -140.8 130.84 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.67 132.65 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.4 t -104.19 112.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -90.49 124.36 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.422 ' CG2' HG23 ' A' ' 58' ' ' VAL . 21.6 p -128.76 -172.16 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 p -73.51 -58.48 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -68.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 84' ' ' THR . 6.5 ptt180 -163.22 173.62 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.6 144.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 23.6 m-85 -115.84 164.91 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.431 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 32.9 m120 -126.62 99.99 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 66.0 m-85 -119.69 157.65 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.34 137.6 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -165.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.01 -17.44 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.1 t0 -129.04 161.28 30.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -71.07 -46.7 14.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.97 19.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -78.99 -37.55 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -66.43 -51.44 56.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -46.84 -42.06 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HB3' ' NH1' ' A' ' 105' ' ' ARG . 31.9 mt-30 -63.89 -34.42 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 51.7 m95 -68.43 -59.25 3.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.8 t -45.4 -58.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.2 t0 -48.47 -58.62 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 101' ' ' GLN . 18.2 mtt85 -44.36 -60.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.67 -53.75 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -56.49 -17.63 8.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -79.81 -6.55 57.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CG ' ' NE ' ' A' ' 105' ' ' ARG . 5.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -166.61 133.46 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.19 164.94 38.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.95 142.61 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 102' ' ' TRP . 8.8 mt -151.33 119.08 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 11.3 m-85 -83.82 146.92 27.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -122.15 129.54 52.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.1 tttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.0 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.67 136.9 41.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -97.38 126.64 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 170.58 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 76.9 t-105 -96.94 115.04 26.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -103.42 170.45 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 t -140.04 137.46 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -115.21 84.43 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 34' ' ' THR . 28.5 t0 -74.24 140.22 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -108.74 -26.34 10.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 48.3 p -77.1 -32.83 56.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -29.46 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CD2' ' HB3' ' A' ' 109' ' ' CYS . 0.1 OUTLIER 66.62 55.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.557 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -141.38 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -107.3 111.21 23.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.6 mtt180 -112.09 124.59 52.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -127.63 130.87 49.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 10.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.525 HG22 ' CE2' ' A' ' 89' ' ' TYR . 1.4 mt -137.0 98.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -54.04 120.37 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.58 -32.57 60.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -15.09 62.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -91.05 -26.53 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 t -52.56 117.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.2 mt-10 -74.04 -30.74 62.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.46 165.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.29 157.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.47 20.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.65 179.43 33.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -110.65 155.7 41.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.378 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.96 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 p -95.39 -168.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.75 132.25 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.9 -50.04 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.67 156.47 1.18 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.9 22.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -46.83 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -38.59 -53.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.405 ' CG1' ' CE2' ' A' ' 79' ' ' PHE . 91.6 t -58.61 146.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 150.38 24.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 pt-20 -54.25 -25.99 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -77.49 0.22 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -119.51 28.89 7.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 14.3 m-85 -129.6 116.79 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -134.65 130.65 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -88.52 140.64 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.38 108.61 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HG2' ' CG2' ' A' ' 88' ' ' VAL . 49.0 mttt -89.73 122.88 33.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.3 p -125.44 -173.14 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -77.71 -31.24 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -74.81 -75.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 7.8 ptt180 -149.37 176.57 10.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.444 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.3 t -88.66 135.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.525 ' CE2' HG22 ' A' ' 53' ' ' ILE . 31.2 m-85 -113.02 140.81 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.61 101.91 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.4 167.69 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 1.6 p -169.47 133.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -75.81 -178.24 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.77 -23.87 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -123.56 171.57 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -76.01 -48.72 3.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.93 -18.27 19.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -75.04 -38.13 61.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -67.99 -53.57 25.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -44.97 -45.09 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.11 -42.38 94.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 43.6 m95 -58.95 -58.75 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.83 -59.31 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -44.91 -56.35 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.601 ' NE ' ' CG ' ' A' ' 10' ' ' TYR . 1.9 mtt85 -49.57 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.4 mt -50.79 -56.04 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -53.19 -30.16 36.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' ASP . 8.0 t -76.97 -5.48 48.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 39.4 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.47 0.176 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.89 158.95 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.31 156.2 10.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.95 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.571 HD11 ' CZ2' ' A' ' 102' ' ' TRP . 7.6 mt -148.69 118.8 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.1 m-85 -84.47 156.82 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 163.31 21.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.607 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 5.4 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 13.8 m0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -100.47 144.36 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -110.95 125.06 53.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 162.32 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.22 120.67 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -108.32 167.91 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 93.2 t -134.11 135.04 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -107.71 84.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.57 143.66 46.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -120.26 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -52.42 -42.5 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.4 mttt -117.04 6.19 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 40.72 88.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -156.61 168.09 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.37 106.25 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 36.3 mtt180 -110.75 123.8 50.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -124.98 137.19 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 89' ' ' TYR . 2.1 mt -125.44 103.28 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -64.84 113.09 3.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 mt -65.18 -30.72 71.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -13.74 58.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -94.07 -21.2 19.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 84' ' ' THR . 56.8 t -60.55 129.07 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 40.9 mt-10 -86.79 -32.9 20.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 166.94 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -134.06 157.67 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.45 144.59 21.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.78 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' PHE . . . -99.12 -177.74 31.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 p -109.57 159.77 30.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.95 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 p -77.03 -173.28 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.45 136.99 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.64 -39.47 2.82 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' TRP . . . -50.11 165.99 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.96 29.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -88.28 47.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -136.71 -51.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 75' ' ' ASP . 58.7 t -66.99 143.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.434 ' N ' HG11 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -81.21 -174.53 4.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.59 -24.29 27.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -91.31 51.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.78 -50.98 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 86.8 m-85 -51.08 125.3 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -137.17 128.98 28.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.1 133.42 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 71.1 t -105.05 115.21 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.471 ' CG2' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -130.47 164.22 25.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -57.64 -52.91 63.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 84' ' ' THR . 23.4 ptt180 -166.06 164.2 18.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -73.88 141.03 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 53' ' ' ILE . 23.2 m-85 -115.5 165.6 12.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 28.9 m120 -127.06 103.41 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -126.2 157.55 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 79' ' ' PHE . 21.4 p -164.52 145.21 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -84.6 -176.53 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -17.8 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -129.74 170.59 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.4 t -74.34 -46.86 5.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -20.64 16.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -73.62 -38.55 65.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -67.58 -52.64 36.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -45.42 -44.63 12.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -57.55 -39.55 76.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 67.7 m95 -65.02 -60.24 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 108.051 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.4 t -43.72 -61.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.1 t70 -44.63 -63.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -40.51 -67.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.68 -53.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -53.52 -24.67 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ASP . 5.0 t -75.29 -8.69 57.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.499 0.19 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.54 143.44 49.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.79 149.9 10.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -49.97 138.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 102' ' ' TRP . 10.4 mt -150.99 118.76 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -82.51 157.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 26.6 ttpt -142.16 107.08 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.6 tttm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.442 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -68.54 125.38 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.62 125.36 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -135.48 160.38 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -84.76 125.21 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 107.969 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.5 m-30 -110.01 169.63 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 66.2 t -138.35 125.84 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -103.47 85.08 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.17 158.26 36.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -125.58 -43.4 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -47.67 -45.54 28.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 22.6 mttt -117.42 0.52 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.6 p-80 45.23 88.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -151.51 163.83 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.591 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.58 106.93 15.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.8 mtp180 -113.89 123.5 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.1 p90 -123.8 135.33 53.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 38' ' ' LEU . 1.7 mt -122.4 102.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.42 105.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.77 -28.07 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.02 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -82.62 -14.57 54.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 84' ' ' THR . 98.4 t -65.84 140.61 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 73.6 mt-10 -104.21 -31.17 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.233 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 167.05 164.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -131.67 157.78 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -145.28 143.85 21.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.05 -174.03 46.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -113.94 159.44 36.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.6 p -106.18 -167.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.8 133.77 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.77 -36.44 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.45 158.69 3.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -102.54 -40.8 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -39.05 -65.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 93' ' ' ALA . 12.6 p -64.06 150.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 74' ' ' VAL . 2.7 t0 -95.31 -164.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.88 -28.62 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -85.7 48.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -146.97 -47.19 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 73.7 m-85 -52.23 128.76 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -142.28 131.04 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.18 131.72 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.1 t -104.21 112.45 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -90.14 126.12 35.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 p -132.46 160.2 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.2 p -50.28 -46.56 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.79 -72.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 4.9 ptt180 -155.76 -169.92 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -102.1 147.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -122.32 161.59 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.62 79.66 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.95 162.01 13.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.3 p -165.96 140.3 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' VAL . . . -84.3 -175.85 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -15.38 20.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.47 159.99 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -73.12 -47.49 7.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.9 m -82.29 -35.28 28.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -66.81 -51.02 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -47.31 -37.14 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 105' ' ' ARG . 23.1 mt-30 -66.8 -34.81 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 57.4 m95 -68.04 -54.22 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.37 -62.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' SER . 14.2 t70 -43.07 -60.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 101' ' ' GLN . 5.1 mpt_? -42.69 -70.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.87 -47.85 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -23.39 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -76.35 -7.05 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.492 0.187 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -120.45 141.61 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.24 166.55 37.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 3.1 mm -67.42 138.87 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD11 ' CZ2' ' A' ' 102' ' ' TRP . 12.4 mt -151.09 119.14 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.53 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 19.1 m-85 -82.32 164.56 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -148.25 130.79 15.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.1 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.4 m0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -68.89 133.6 48.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -98.62 122.35 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -132.01 162.35 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -81.43 127.51 32.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.039 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.489 ' CG ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 m-85 -109.85 171.4 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.6 138.45 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.2 84.69 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 35.2 t0 -75.86 141.42 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -109.19 -35.66 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 49.6 p -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 4.3 mmtt -104.68 -12.4 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 49.95 58.33 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -138.86 164.7 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.38 109.32 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.67 121.52 44.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -127.93 148.8 50.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.547 HG21 ' CE2' ' A' ' 89' ' ' TYR . 3.0 mt -106.76 96.29 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.68 106.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -16.41 31.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.94 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.05 -25.47 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 84' ' ' THR . 43.1 t -55.22 124.2 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.4 mm-40 -80.44 -31.36 37.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.38 160.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.39 156.02 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.58 144.43 22.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 89.32 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.557 1.82 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 -174.04 41.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -115.29 160.23 35.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.436 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.99 136.85 20.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -114.29 -179.13 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.6 114.3 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.42 -38.79 1.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.53 165.05 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.66 25.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -82.89 52.21 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -141.8 -50.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 75' ' ' ASP . 50.1 t -62.97 164.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -115.03 149.92 36.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -52.73 -20.2 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -91.28 31.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -151.63 22.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 27.4 m-85 -119.38 107.97 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CE2' HG21 ' A' ' 82' ' ' VAL . 30.6 p90 -121.2 130.11 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 116.66 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG21 ' CE2' ' A' ' 80' ' ' PHE . 41.9 t -90.78 106.61 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -81.24 129.35 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.463 ' CG2' HG23 ' A' ' 58' ' ' VAL . 1.4 p -136.22 173.21 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 p -65.56 -51.84 56.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -162.77 -170.24 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.22 132.86 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 53' ' ' ILE . 19.1 m-85 -105.95 150.13 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.76 81.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 39.5 m-85 -98.95 158.44 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.8 p -164.3 139.88 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -81.74 174.56 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.404 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.0 -18.09 31.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -129.68 163.44 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -70.46 -47.42 18.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 -18.43 18.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 m -76.59 -36.2 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -67.68 -53.39 28.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -44.69 -43.19 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -61.74 -46.46 89.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 63.0 m95 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 63.9 t -44.77 -65.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 32.5 t0 -39.74 -59.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.61 -69.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.22 -55.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -32.6 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 4.4 t -64.43 -11.81 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 13.3 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.524 0.202 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -168.85 136.95 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.82 167.21 39.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.04 140.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 7.4 mt -150.96 118.98 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.3 m-85 -86.67 159.08 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 7.7 ttmt -136.53 140.38 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 20.9 tttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 5.4 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -83.57 136.85 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -81.57 134.2 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.61 161.3 37.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -94.83 115.59 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 38' ' ' LEU . 3.5 m-30 -100.53 167.64 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.4 t -140.86 116.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -95.16 84.38 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.59 131.24 37.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -30.21 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -72.23 -36.4 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 12.1 mmtt -105.18 -6.9 19.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.7 p-80 45.09 67.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.414 ' N ' HD11 ' A' ' 55' ' ' LEU . 1.3 pt20 -152.12 155.23 37.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 29' ' ' PHE . 3.8 tt -108.2 99.57 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' VAL . 11.0 mtm180 -100.32 127.45 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -122.95 139.69 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 20.3 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 89' ' ' TYR . 1.6 mt -123.04 105.06 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -62.24 104.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 37' ' ' GLN . 31.2 mt -62.78 -22.01 66.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.84 -6.2 43.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -101.91 -12.27 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.98 123.4 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 47.2 mt-10 -81.95 -29.53 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.35 162.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.77 155.5 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.02 143.7 29.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.55 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.89 -172.68 47.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.11 161.4 33.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.2 p -112.09 -175.73 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.63 135.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.95 -40.38 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.572 ' HA ' ' CD1' ' A' ' 24' ' ' TRP . . . -43.25 160.79 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.62 19.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.7 65.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.7 p -151.18 -60.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 4.5 p -66.28 153.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.0 -167.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.06 -28.88 22.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -84.24 50.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -147.54 -46.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 76.6 m-85 -55.34 124.95 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -137.67 128.52 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.68 134.04 34.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.14 109.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 120.36 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -124.39 -174.58 3.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.8 p -78.83 -48.15 15.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 84' ' ' THR . 13.8 ptp180 -158.94 169.49 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.12 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 53' ' ' ILE . 23.4 m-85 -116.83 153.48 32.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -116.68 97.63 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 21.6 m-85 -117.48 159.83 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.7 137.41 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.15 -168.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -25.1 14.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -126.5 176.09 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -78.38 -49.08 1.84 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 -30.46 60.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -74.44 -48.15 29.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.56 -36.97 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.38 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 50.7 m95 -71.4 -50.5 31.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.4 t -50.02 -61.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -50.1 9.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.562 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.66 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.55 -50.05 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -54.4 -25.91 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -75.99 -6.52 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 27.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.459 0.171 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.29 131.93 16.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -170.99 170.23 43.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 3.4 mm -68.95 139.38 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 14.3 mt -151.37 119.56 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 9.4 m-85 -84.66 156.82 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -131.61 122.13 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tttm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLY . 16.8 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -79.35 117.45 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.45 114.47 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -141.43 164.01 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.0 t-105 -81.76 121.64 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.509 ' CG ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 m-85 -103.3 169.38 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 92.4 t -139.83 134.84 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -104.65 85.04 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 1.1 t70 -73.6 136.66 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -39.53 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -54.92 -41.38 70.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -107.46 -18.19 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.7 OUTLIER 65.14 73.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.578 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -151.48 168.42 24.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 83.8 mtt180 -104.26 127.29 51.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -128.06 140.38 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 6.8 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.1 mt -139.41 98.48 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.26 116.21 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.9 mt -68.4 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -15.94 58.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -88.43 -26.45 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.75 128.52 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 50.0 mt-10 -90.15 -31.73 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 169.08 177.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -140.17 157.67 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.31 144.42 21.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.56 -167.26 41.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 p -123.17 158.19 58.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.0 135.17 18.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 p -127.55 -153.48 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 69' ' ' GLY . 53.6 mt -58.96 159.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 39.75 54.22 2.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . . . -83.49 -174.53 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.97 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' C ' ' CG2' ' A' ' 73' ' ' THR . 5.1 mmtt -73.24 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 72' ' ' LYS . 5.5 p -152.86 76.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 71' ' ' PRO . 70.8 t -106.22 149.65 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -81.25 123.75 28.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.493 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 5.5 pt-20 -36.7 -34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.2 mtpt -62.29 -55.9 23.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -40.0 -61.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 86.0 m-85 -33.72 138.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 40.3 p90 -159.44 124.82 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -84.53 131.53 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.4 t -104.57 104.72 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -77.0 127.35 32.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.474 HG22 ' CE2' ' A' ' 89' ' ' TYR . 1.1 p -130.75 -173.88 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 p -79.79 -41.35 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -64.67 -70.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 34.2 ptt-85 -158.29 161.84 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.38 138.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.474 ' CE2' HG22 ' A' ' 84' ' ' THR . 22.6 m-85 -111.07 165.37 11.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.406 ' ND2' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -132.13 89.46 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 23.0 m-85 -109.33 158.06 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 79' ' ' PHE . 13.8 p -156.85 155.17 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -99.67 170.34 8.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -84.31 -0.27 51.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.85 166.34 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -75.5 -47.4 4.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -17.38 19.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 m -78.3 -39.98 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.27 -51.22 47.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -46.26 -43.9 16.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.73 -42.02 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 47.9 m95 -59.62 -57.59 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.1 -61.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -55.15 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 108' ' ' SER . 9.1 mtt-85 -53.62 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.95 -49.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.0 -29.73 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -82.75 -5.65 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 3.4 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 21.2 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.472 0.177 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 pm0 -146.57 163.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.62 151.45 6.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.96 144.12 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.2 mt -151.2 119.03 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.473 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 6.6 m-85 -81.95 167.33 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -145.3 120.34 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.529 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.7 tttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.529 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.5 m0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 20.7 tptm -83.85 149.84 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -106.29 120.12 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -121.42 162.32 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.8 t-105 -96.42 104.77 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.671 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.3 m-30 -89.57 170.86 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ARG . 14.8 t -145.16 114.23 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -89.92 83.79 6.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -80.16 128.2 33.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -96.71 -36.1 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.9 p -70.65 -30.31 66.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.78 -30.62 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.92 39.84 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.637 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -136.79 163.42 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.671 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.5 103.23 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 4.2 mtt180 -100.59 122.54 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.4 144.59 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.7 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -136.61 101.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.96 120.86 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.24 -26.95 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.79 -8.62 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -98.58 -23.34 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.3 128.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 56.5 mt-10 -90.33 -31.12 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 162.97 175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -138.27 157.64 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -144.82 144.25 23.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.91 6.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.81 -173.67 27.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -113.32 160.85 29.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.99 115.56 4.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.9 p -98.04 -174.49 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.432 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.81 136.23 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.61 -40.02 2.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.83 165.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.69 10.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -102.3 -46.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.87 154.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -160.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.31 -30.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -84.61 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -147.73 -47.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 52.3 m-85 -49.47 127.53 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -145.16 130.34 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.53 135.45 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -105.38 115.06 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -92.69 134.98 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 2.2 p -138.2 -170.92 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.1 p -79.48 -41.31 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -72.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 9.7 ptt180 -154.59 175.86 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.99 144.53 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.07 161.93 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -130.75 93.09 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -104.47 167.01 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -152.95 160.19 43.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.97 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.49 34.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.19 164.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.05 -46.26 3.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 -17.11 19.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 m -78.48 -35.32 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.933 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -69.34 -53.1 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -46.32 -45.97 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.19 -35.96 80.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 14' ' ' LEU . 22.7 m95 -66.53 -51.84 52.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.42 -56.21 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -45.21 -46.52 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -61.39 -61.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.429 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 13.7 mt -51.44 -50.46 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -59.35 -14.85 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 t -96.97 -5.17 38.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 106' ' ' ILE . 1.8 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -155.7 152.58 28.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.21 165.48 33.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 2.6 mm -66.41 140.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 102' ' ' TRP . 12.1 mt -151.24 119.12 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 m-85 -85.68 148.75 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.88 119.34 30.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 17.9 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.4 m0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -76.73 128.88 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -93.56 123.52 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.68 162.75 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -88.55 120.04 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 38' ' ' LEU . 4.0 m-30 -104.67 170.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 75.0 t -135.05 146.64 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.18 84.65 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -70.11 148.54 48.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 2.4 ptpt -122.59 -41.41 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 p -51.64 -44.28 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.46 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 17.5 mttt -115.65 0.17 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.4 p-80 47.36 85.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' N ' HD12 ' A' ' 55' ' ' LEU . 73.2 mt-30 -153.82 155.95 36.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 29' ' ' PHE . 2.4 tt -109.03 103.15 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -108.03 133.33 52.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.39 132.08 50.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.441 HD12 ' CD2' ' A' ' 38' ' ' LEU . 2.0 mt -128.11 101.26 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -57.05 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 37' ' ' GLN . 36.5 mt -57.44 -21.19 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . . . -71.44 -15.32 62.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.9 -14.34 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.61 122.17 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.1 mm-40 -78.44 -33.1 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 164.18 157.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.33 149.92 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.75 144.28 35.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.47 -172.52 24.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -108.03 158.24 34.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.439 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.809 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -73.96 179.23 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.48 131.66 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.8 -41.22 2.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 164.56 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -35.16 68.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -47.31 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 79' ' ' PHE . 62.5 t -51.26 145.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.417 ' N ' HG11 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -103.08 155.4 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.68 -20.92 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -91.38 30.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -149.09 20.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CE1' HG13 ' A' ' 74' ' ' VAL . 16.8 m-85 -117.0 110.71 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -125.66 127.74 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.63 120.34 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.5 t -91.06 107.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -84.86 130.31 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -132.93 -171.75 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 p -77.71 -42.64 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -160.08 -175.76 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.83 134.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -106.64 160.38 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.89 92.23 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -112.07 158.22 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.9 p -158.66 137.91 11.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.86 177.99 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.02 13.86 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.44 159.49 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -69.78 -47.58 23.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.03 -15.8 20.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -80.43 -30.03 37.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.66 -51.93 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -47.17 -40.1 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.452 ' O ' ' NE ' ' A' ' 105' ' ' ARG . 23.0 mt-30 -63.56 -39.63 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 48.3 m95 -64.19 -60.19 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' TRP . 75.3 t -40.39 -63.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -43.94 -65.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -39.77 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' CYS . 40.1 mt -47.69 -56.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.04 -26.09 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -79.11 -18.93 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' ILE . 86.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 108.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 1.6 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.29 122.13 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.572 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -164.34 162.19 35.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' NE2' ' A' ' 94' ' ' GLN . 4.0 mm -59.01 141.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -151.23 118.93 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 54.4 m-85 -90.39 155.48 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 1.8 ttmt -133.28 154.83 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.7 tttm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.1 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -79.05 146.78 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -108.91 126.4 53.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -140.55 159.55 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.3 t-105 -85.63 124.5 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.956 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.2 m-30 -107.4 167.51 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -140.05 124.43 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.2 92.85 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 152.15 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -42.32 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 p -50.7 -33.82 24.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.6 mttt -129.9 8.78 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 38.58 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -148.77 167.02 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -118.01 108.33 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -108.73 119.95 41.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -130.4 147.66 52.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.49 HG23 ' CE2' ' A' ' 89' ' ' TYR . 6.1 mt -118.52 97.09 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.33 101.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.22 -19.92 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.18 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' OE1' ' CG2' ' A' ' 85' ' ' THR . 60.6 mm-40 -88.74 -17.68 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -60.45 121.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 51.8 mt-10 -80.02 -29.64 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.47 167.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.39 157.42 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.54 145.09 20.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.67 -167.45 32.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.67 157.76 47.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.95 152.44 41.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.563 1.823 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -133.56 -165.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.4 mt -74.8 135.57 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.65 -46.13 1.27 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.66 156.09 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.95 28.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.26 -37.62 74.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -39.03 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 7.9 p -60.65 156.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 74' ' ' VAL . 1.3 t0 -113.08 179.91 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.4 pt-20 -65.2 -36.9 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -78.39 54.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -157.98 -45.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 92' ' ' CYS . 81.8 m-85 -58.53 119.7 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -127.28 129.34 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.13 138.2 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.4 t -109.52 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -84.89 127.16 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.1 p -128.0 -169.39 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 57' ' ' GLU . 7.2 p -84.82 -47.28 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 87' ' ' ARG . 14.2 ptm180 -59.67 -47.39 85.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -170.4 -152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.501 ' N ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 t -122.9 141.61 42.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' A' ' 53' ' ' ILE . 14.6 m-85 -118.23 146.01 44.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -115.04 98.44 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 16' ' ' LYS . 23.1 m-85 -110.59 160.09 16.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 23.5 p -162.3 141.1 9.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 108.322 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.28 -169.42 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.59 -15.85 22.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.8 t0 -134.41 169.03 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.22 -47.43 3.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.97 -17.88 19.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 t -79.2 -34.83 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.77 55.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -48.25 -44.02 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.37 -33.3 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.422 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 37.7 m95 -72.03 -62.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -45.81 -51.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -49.35 -43.18 43.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 mtt85 -65.27 -56.8 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.5 mt -55.22 -47.25 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -25.12 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -6.42 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 76.0 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.528 0.204 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 9.5 pt-20 -152.73 178.24 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 163.64 12.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -68.88 139.57 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 102' ' ' TRP . 16.3 mt -151.56 119.6 6.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 7.1 m-85 -88.77 167.83 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -144.24 123.51 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.535 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 13.2 m0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 131.38 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.561 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -138.64 163.07 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -89.81 114.83 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.011 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.7 m-30 -97.91 171.68 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.7 t -140.58 134.44 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -105.42 83.66 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.69 125.23 30.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.39 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 p -73.21 -36.45 66.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 11.2 mmtt -96.75 -13.78 22.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.9 p-80 50.07 47.86 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.648 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -139.77 161.63 37.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -107.97 105.94 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -102.58 123.07 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . 10.8 p90 -134.46 144.25 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HB ' ' CB ' ' A' ' 38' ' ' LEU . 1.8 mt -129.0 99.69 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.01 105.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.17 -25.07 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -12.05 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -97.82 -18.76 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 84' ' ' THR . 89.4 t -68.99 136.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 42.4 mt-10 -95.87 -29.73 14.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 166.03 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -135.32 157.56 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.91 144.55 20.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.99 13.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.46 -166.21 17.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 p -114.33 158.62 39.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 105.17 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -84.84 -175.59 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.67 139.51 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 -38.02 3.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.2 160.14 3.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 168.62 24.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -94.27 -40.86 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -40.77 -58.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 164.55 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.465 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.4 t0 -114.2 -178.86 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -78.62 -29.96 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -84.86 50.25 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.28 -57.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 75.5 m-85 -40.43 132.57 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -146.68 127.11 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.0 138.38 31.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.6 t -109.05 115.33 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -86.71 118.68 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 58' ' ' VAL . 1.3 p -127.02 176.75 7.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.1 p -69.66 -50.2 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -158.94 159.59 35.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.33 138.58 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -113.91 128.24 56.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.94 87.47 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE1' ' HE2' ' A' ' 29' ' ' PHE . 9.9 m-85 -98.13 167.3 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.459 ' SG ' ' CE3' ' A' ' 24' ' ' TRP . 5.7 p -175.47 133.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.53 -143.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -135.95 24.46 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' A' ' 98' ' ' SER . 0.2 OUTLIER -156.51 159.29 38.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -76.05 -47.1 3.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.07 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 95' ' ' ASP . 52.6 m -43.54 -36.31 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 102' ' ' TRP . . . -69.99 -54.31 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -45.02 -38.91 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.63 -37.01 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.519 ' CD2' HD12 ' A' ' 14' ' ' LEU . 79.8 m95 -64.61 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.33 -64.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' SER . 19.3 t0 -43.9 -61.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.545 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 6.6 mtt85 -44.67 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 mt -45.28 -54.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -52.23 -28.19 17.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -72.64 -17.75 61.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 22.7 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.5 0.191 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.86 150.74 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 165.01 31.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.55 143.84 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 12.5 mt -151.43 118.99 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.2 m-85 -86.72 156.15 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -123.1 165.81 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 40.2 tttm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.1 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -74.25 138.1 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -103.5 109.63 21.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -123.44 162.66 22.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -85.73 122.7 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CD2' HD22 ' A' ' 38' ' ' LEU . 3.4 m-30 -107.09 168.81 8.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.9 t -137.11 134.0 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.36 84.78 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 33.8 t0 -75.16 147.19 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -108.28 -37.07 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -72.4 -29.44 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.1 mmtt -105.94 -18.0 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.7 p-80 48.47 53.66 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -132.82 170.28 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.12 105.46 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' OH ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -109.19 123.57 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -122.97 135.37 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.44 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 17.6 m-85 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mt -136.78 99.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -57.25 104.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.92 -25.28 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -17.29 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -90.27 -17.81 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.38 122.51 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 48.6 mt-10 -79.91 -31.62 40.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.19 161.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.69 155.07 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.18 144.33 31.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.19 179.75 38.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 p -104.86 156.58 35.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.417 1.746 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -82.82 -178.89 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.69 132.94 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -35.31 5.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.41 164.9 6.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 127.78 10.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -66.33 -48.33 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LYS . 29.7 p -37.3 -55.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 72' ' ' LYS . 49.0 t -60.9 152.65 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -103.73 154.51 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 8.8 pt-20 -51.68 -28.59 15.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 9.7 mtpt -66.81 -9.55 38.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' CYS . . . -111.66 32.76 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 17.0 m-85 -131.62 109.28 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -136.22 128.38 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' ' ND2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -87.12 141.89 28.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.61 110.84 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -88.11 122.26 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.4 p -127.45 -168.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.0 p -83.01 -43.84 15.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -60.26 -67.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -159.3 -173.52 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.05 131.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -111.48 126.63 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' ND2' ' OD2' ' A' ' 81' ' ' ASP . 26.6 m120 -102.11 100.23 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -109.56 173.24 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' ALA . 1.1 p -172.53 133.21 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.356 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.46 -173.4 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -28.11 13.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 154.12 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.613 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.1 t -73.45 -45.55 7.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.0 -15.44 20.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 m -79.71 -34.66 39.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.84 -54.64 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -43.99 -37.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -72.34 -36.93 68.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.9 m95 -63.27 -50.73 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 -63.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.8 -42.72 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 10.1 mtt-85 -60.96 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.02 -47.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -32.88 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ASP . 28.8 t -68.72 -8.33 41.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' ' HD3' ' A' ' 105' ' ' ARG . 18.7 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.53 0.205 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -155.81 126.12 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.3 176.76 36.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.77 142.03 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.58 HD11 ' CH2' ' A' ' 102' ' ' TRP . 7.5 mt -151.62 119.5 6.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 19.1 m-85 -86.48 154.36 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -125.97 128.59 47.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 7.2 ttpt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.641 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 12.4 m0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -104.94 143.39 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -97.34 125.17 41.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.56 159.94 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -95.41 118.42 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.8 m-30 -103.79 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -136.67 121.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.74 82.74 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -79.01 128.48 33.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -32.78 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 p -67.57 -38.66 84.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 8.5 mmtt -97.86 -7.11 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 7.1 p-80 44.4 42.66 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CG ' ' HA ' ' A' ' 54' ' ' ASP . 4.4 mt-30 -131.22 171.59 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -115.22 106.75 14.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -102.2 120.22 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -132.92 138.71 47.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 HG22 ' CE2' ' A' ' 89' ' ' TYR . 5.9 mt -110.88 98.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -62.09 105.57 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.74 -20.13 32.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.0 65.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -91.76 -22.82 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 82' ' ' VAL . 53.2 t -58.72 127.14 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.9 mt-10 -92.65 -29.43 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 169.67 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.27 156.13 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.64 145.81 24.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.52 5.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' THR . . . -110.9 97.63 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.501 ' CG2' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -37.16 155.42 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.0 p -112.91 -168.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -76.85 117.06 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -29.8 6.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.22 165.72 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.08 13.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 10.9 mptt -64.29 -54.61 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' LYS . 31.8 p -36.75 -54.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 79' ' ' PHE . 65.3 t -62.57 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.23 156.63 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.27 -17.86 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -92.23 29.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.49 20.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 8.2 m-85 -110.35 118.24 35.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -140.78 133.14 28.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -100.11 147.15 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.464 ' CG1' HG21 ' A' ' 58' ' ' VAL . 25.3 t -107.19 113.53 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -87.5 107.96 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -114.93 -177.07 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p -75.84 -47.56 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -56.62 -64.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -167.5 162.4 14.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.7 t -73.64 140.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.448 ' CE2' HG22 ' A' ' 53' ' ' ILE . 21.7 m-85 -116.68 160.57 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 8.0 m120 -121.92 117.15 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 90' ' ' ASN . 22.3 m-85 -136.43 158.64 43.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 29.9 p -161.94 143.75 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.96 178.87 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.63 22.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.23 164.08 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -75.94 -47.02 3.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.02 -16.53 20.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -79.37 -36.11 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.36 -53.64 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -45.07 -42.98 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.1 m95 -66.87 -54.72 19.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -52.82 -64.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.8 t0 -41.64 -50.3 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD3' ' CB ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -52.6 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.3 mt -51.31 -44.71 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -23.95 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -77.42 -5.77 51.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 43.5 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.539 0.209 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -151.3 -174.95 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.02 145.41 4.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -55.5 141.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 102' ' ' TRP . 10.0 mt -150.66 119.04 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.6 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 63.1 m-85 -89.21 144.93 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -129.32 115.62 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 7.5 tttt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 8.7 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -128.58 108.88 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.6 ' CB ' ' CE2' ' A' ' 15' ' ' TYR . . . -75.85 114.07 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 162.57 31.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.5 t-105 -88.51 119.83 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.7 m-30 -104.59 170.98 7.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.9 t -141.05 125.1 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.83 83.91 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -82.17 128.38 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -96.92 -29.75 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -71.27 -37.59 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -94.23 -28.18 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.5 OUTLIER 65.39 39.04 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.611 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -132.54 162.96 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -106.4 107.09 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 6.3 mtm180 -106.42 131.08 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -143.36 140.66 30.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.49 96.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.43 106.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mt -61.46 -25.75 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.91 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -87.92 -25.23 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.93 130.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 50.8 mt-10 -93.9 -28.11 16.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 168.13 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.42 153.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.82 144.54 27.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.06 5.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.6 -162.46 33.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -121.24 147.66 47.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 p -94.95 -172.58 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.33 119.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.31 -45.34 1.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.93 162.59 0.26 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.92 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 74' ' ' VAL . 9.0 mttp -119.8 -40.66 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.554 ' CG2' ' CB ' ' A' ' 78' ' ' ALA . 9.1 p -97.28 159.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.27 151.19 33.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.8 pt-20 -44.25 -36.95 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -50.08 71.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 74' ' ' VAL . . . -50.64 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 67.8 m-85 -31.46 127.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -148.7 130.25 14.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -89.64 143.0 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.34 115.29 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -87.91 118.75 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.2 p -122.39 -175.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.8 p -77.19 -35.14 56.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -70.7 -76.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 4.5 ptp180 -150.96 171.66 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.495 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.8 t -81.98 140.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.585 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 25.3 m-85 -114.51 165.33 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -127.02 96.43 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CE2' ' CB ' ' A' ' 89' ' ' TYR . 62.3 m-85 -115.11 155.21 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.9 p -161.2 148.77 15.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.21 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' NE2' ' HH ' ' A' ' 15' ' ' TYR . 1.6 mt-30 -112.72 29.61 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.414 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.6 t0 -177.62 160.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.639 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.2 t -75.18 -44.62 4.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.05 -16.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 m -86.61 -34.3 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.94 -51.14 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -46.72 -38.28 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -65.75 -37.45 86.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 52.2 m95 -62.87 -55.25 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 54.5 t -52.48 -66.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -40.34 -46.96 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -59.18 -64.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 mt -51.3 -55.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -55.44 -28.57 55.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.3 t -79.93 -5.73 56.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 1.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.342 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.63 ' CD1' ' NH2' ' A' ' 105' ' ' ARG . 29.6 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' GLU . 1.1 pm0 -138.13 164.62 28.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 159.88 124.7 0.75 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mm -39.92 138.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 102' ' ' TRP . 5.0 mt -146.37 118.81 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 27.0 m-85 -84.85 166.76 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttmt -144.7 155.42 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.563 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 10.2 tttm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.1 m0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.23 136.61 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -90.79 121.03 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -121.85 158.17 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.409 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 57.8 t-105 -88.57 123.34 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.1 m-85 -111.5 165.26 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.2 t -140.31 121.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.52 83.15 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' CD ' ' A' ' 39' ' ' ARG . 28.7 m-20 -79.96 115.12 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -35.36 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 p -70.9 -34.36 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 1.7 mmmt -95.51 -7.95 36.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 3.5 p-80 42.85 38.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -130.3 167.08 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -113.42 104.19 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -100.7 119.79 39.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 33.8 p90 -128.43 149.23 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 3.8 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.527 HG22 ' CE2' ' A' ' 89' ' ' TYR . 2.5 mt -117.9 100.66 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.37 111.95 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.63 -25.84 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -10.7 46.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -98.42 -19.96 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 84' ' ' THR . 78.7 t -64.98 132.31 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 40.4 mt-10 -91.03 -29.58 17.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 162.6 168.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.7 146.15 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.53 142.9 42.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.57 9.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.7 -127.15 5.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.482 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -164.35 166.76 11.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.2 Cg_endo -75.05 91.89 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 p -73.22 -173.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -75.13 125.94 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' O ' ' NE1' ' A' ' 24' ' ' TRP . . . 98.4 27.18 8.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.34 169.44 8.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.68 41.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 42.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.0 p -141.52 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.521 HG11 ' CE2' ' A' ' 79' ' ' PHE . 45.0 t -46.57 157.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -105.95 173.32 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.48 -25.16 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -97.46 52.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.42 -47.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE2' HG11 ' A' ' 74' ' ' VAL . 91.6 m-85 -48.31 133.7 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 27.1 p90 -148.31 128.7 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.03 133.97 34.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.49 112.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -88.01 124.52 33.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.11 -174.61 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.3 p -78.7 -50.15 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -69.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 84' ' ' THR . 19.6 ptt180 -160.81 164.67 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.77 135.71 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 53' ' ' ILE . 26.7 m-85 -107.35 157.28 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.52 97.33 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 17.6 m-85 -114.7 162.64 16.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 p -165.64 135.37 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 99' ' ' ALA . . . -76.39 -170.72 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -18.01 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.0 m-20 -131.84 -179.89 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -77.83 -48.28 2.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -30.36 7.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 m -62.44 -30.17 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -75.47 -52.23 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -47.38 -42.57 22.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.85 -37.49 82.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.5 m95 -67.9 -42.57 80.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.16 -61.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.89 -43.14 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.63 ' NH2' ' CD1' ' A' ' 10' ' ' TYR . 26.2 mtt-85 -61.55 -70.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.98 -45.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.36 -27.32 67.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' ARG . 9.1 t -70.69 -10.78 60.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.43 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 15.9 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.532 0.206 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -159.74 139.09 11.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.473 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -174.08 171.61 44.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.33 145.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD11 ' CZ2' ' A' ' 102' ' ' TRP . 14.9 mt -151.89 119.25 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.536 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 10.6 m-85 -85.37 135.43 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -115.34 138.23 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 41.9 tttm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.2 m0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -72.6 129.67 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -91.68 123.2 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -128.85 174.35 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 76.6 t-105 -101.71 108.34 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CD2' HD12 ' A' ' 14' ' ' LEU . 3.2 m-85 -90.64 169.93 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 77.0 t -141.9 123.99 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.15 84.78 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -72.47 134.64 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -36.76 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 p -60.54 -40.57 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -106.58 -11.06 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.451 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER 57.24 75.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.573 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -155.85 172.35 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -121.7 104.76 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 93.4 mtt180 -105.17 125.05 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -126.02 142.6 51.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 4.0 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG23 ' CE2' ' A' ' 89' ' ' TYR . 7.2 mt -122.28 95.52 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -53.45 106.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.55 -27.26 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.16 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -99.97 -21.99 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.41 122.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 9.8 mm-40 -84.02 -27.81 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 164.2 179.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -138.22 157.33 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.32 144.71 26.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.32 -173.28 15.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 p -112.57 155.96 43.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 97.44 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 p -74.67 -177.17 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 mt -67.63 139.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.92 -39.43 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.96 164.81 0.88 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.75 12.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.48 57.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -142.09 -65.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.8 t -46.77 160.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -99.75 136.84 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 9.9 pt-20 -39.8 -31.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -61.55 -59.61 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -41.09 -57.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 59.1 m-85 -41.62 130.63 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD2' HG22 ' A' ' 103' ' ' VAL . 28.7 p90 -148.51 131.62 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.48 138.57 32.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.71 114.11 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -87.82 121.22 29.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -127.24 -168.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.2 p -88.41 -41.64 12.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -62.46 -65.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 5.4 ptp180 -163.68 165.18 23.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.54 141.02 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 87' ' ' ARG . 24.0 m-85 -117.98 164.23 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -132.06 105.5 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.403 ' CE1' ' HE2' ' A' ' 29' ' ' PHE . 17.9 m-85 -115.93 165.13 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.557 ' SG ' ' CG ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -150.73 160.46 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.6 -177.57 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.38 22.75 12.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.99 162.54 2.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.612 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -74.84 -45.92 5.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -17.11 19.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -78.45 -42.43 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.16 -51.38 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -46.56 -44.94 18.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.53 -38.94 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.596 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.8 m95 -64.71 -59.17 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.956 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 61' ' ' VAL . 77.3 t -52.55 -48.34 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -53.78 -57.36 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.43 ' NE ' ' HB2' ' A' ' 10' ' ' TYR . 3.6 mtt-85 -55.31 -46.88 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.407 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 14.1 mt -62.27 -51.95 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.5 mm-40 -58.53 -19.66 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.3 -5.54 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 36' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 9.4 t80 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.476 0.179 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.88 130.92 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -165.95 -173.78 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mm -80.42 140.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD12 ' CH2' ' A' ' 102' ' ' TRP . 13.2 mt -151.87 119.33 6.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 8.1 m-85 -82.46 167.79 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.36 128.87 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 4.2 ttpt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 16.7 m0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -80.76 140.82 35.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 15' ' ' TYR . . . -104.89 110.93 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 163.52 22.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.432 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 74.3 t-105 -88.83 119.46 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CG ' ' HB2' ' A' ' 14' ' ' LEU . 3.5 m-30 -102.61 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 18.8 t -138.59 126.83 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -103.45 83.93 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -76.44 142.2 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.87 -25.66 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 p -80.03 -34.13 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -99.48 -27.85 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 109' ' ' CYS . 0.2 OUTLIER 64.05 48.97 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -136.46 157.55 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD23 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -105.01 106.34 16.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.7 mtp180 -109.88 127.97 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -129.94 129.14 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.452 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 6.6 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 53' ' ' ILE . 10.8 t . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 ' N ' HG11 ' A' ' 52' ' ' VAL . 1.7 mt -127.29 96.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.53 96.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' VAL . 15.8 mt -50.32 -36.04 30.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.08 -21.67 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.41 -27.05 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 84' ' ' THR . 77.8 t -56.28 134.65 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 29.0 mt-10 -96.08 -30.97 13.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 167.32 176.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.28 150.59 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.42 142.72 43.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.11 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.83 -155.62 15.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.489 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -137.33 167.04 22.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 110.399 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.4 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.4 p -108.51 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -63.59 124.99 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.63 -46.13 1.21 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 79' ' ' PHE . . . -46.98 158.37 0.43 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.68 9.59 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -94.06 -55.99 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' LYS . 27.8 p -37.12 -54.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 79' ' ' PHE . 95.9 t -58.0 148.12 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 2.4 t0 -109.42 169.18 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -64.63 -30.64 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -89.93 56.58 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -156.8 -45.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 97.0 m-85 -57.55 138.22 55.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.34 130.04 14.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.484 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -90.76 134.03 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.92 114.38 44.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -84.51 129.92 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.45 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -139.05 168.38 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.376 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -61.27 -48.18 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.07 -71.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -162.38 172.12 16.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.484 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 3.8 t -79.02 147.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -122.84 164.56 18.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.8 93.38 3.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -110.75 160.99 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 28.5 p -166.34 146.55 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.21 -166.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.75 -6.01 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -139.82 164.43 30.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -75.87 -46.33 3.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.86 19.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 p -80.24 -41.31 25.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -61.61 -51.31 69.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -46.72 -39.93 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -69.02 -30.54 68.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.8 m95 -71.08 -48.18 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.88 -66.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -41.07 -42.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 13.4 mtt-85 -60.94 -67.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.416 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 10.6 mt -53.06 -42.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -18.26 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -96.88 -5.27 38.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 106' ' ' ILE . 1.7 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.363 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 12.2 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.471 0.176 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.7 136.79 26.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.21 164.69 36.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -64.3 140.41 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' CH2' ' A' ' 102' ' ' TRP . 10.5 mt -151.22 119.14 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 30.9 m-85 -85.76 166.54 16.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -137.43 141.2 41.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.3 tttm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.0 m0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 144.2 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -109.19 122.68 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -132.54 162.11 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -86.42 117.48 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -100.11 170.8 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -142.93 120.69 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.85 85.12 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -65.95 146.56 54.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -41.66 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.0 p -51.35 -44.35 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.8 mttm -115.56 8.46 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.9 p-80 40.4 78.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.646 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -147.85 172.1 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -120.14 105.85 11.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -102.94 119.68 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -128.79 146.58 50.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' HB ' ' CB ' ' A' ' 38' ' ' LEU . 2.2 mt -123.73 98.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.19 114.88 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.34 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.93 -24.85 20.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 84' ' ' THR . 69.8 t -59.68 129.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 73.0 mm-40 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 165.45 177.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.99 157.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.42 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 110.15 3.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.98 -170.35 45.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -118.07 161.36 35.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.03 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.1 p -90.76 -172.98 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.56 125.72 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.27 -45.09 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.51 166.35 0.12 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -100.17 -51.76 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -43.21 -45.28 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 HG13 ' CE2' ' A' ' 79' ' ' PHE . 61.4 t -61.93 152.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.32 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.5 pt-20 -75.23 -30.22 60.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -89.22 46.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -143.42 -47.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 96.5 m-85 -53.08 134.65 38.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -147.36 130.52 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -88.46 140.78 29.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.22 104.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -82.07 125.69 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.476 ' CG2' HG21 ' A' ' 58' ' ' VAL . 1.8 p -130.44 -172.22 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 p -79.84 -38.19 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.33 -74.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -154.22 168.26 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -80.58 138.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 53' ' ' ILE . 20.4 m-85 -113.62 163.62 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 12.9 m120 -129.47 98.8 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -118.8 159.56 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 79' ' ' PHE . 19.2 p -160.76 150.55 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.1 174.93 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 9.75 25.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 160.21 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -74.31 -48.05 5.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -15.75 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -80.82 -35.98 32.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -66.89 -51.6 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -47.1 -42.15 18.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.12 -36.07 82.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 41.6 m95 -65.93 -62.64 1.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.7 t -46.06 -60.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 26.7 t0 -43.21 -52.85 5.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 13.0 mtt-85 -53.08 -67.26 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.2 mt -48.81 -43.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.44 -24.84 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -73.27 -5.86 42.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.053 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 33.2 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.482 0.182 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -142.43 161.36 38.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.49 157.26 9.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 1.9 mm -59.49 140.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 102' ' ' TRP . 10.2 mt -151.06 119.1 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 26.0 m-85 -83.39 166.9 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -145.53 131.61 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.3 tttm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 2.7 m0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -82.23 127.69 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -79.96 121.7 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.73 157.63 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -87.07 113.91 23.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -104.51 166.91 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 41.4 t -135.24 126.52 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -100.08 85.18 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -66.19 160.39 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -42.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 p -50.25 -38.39 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.9 mttt -124.51 10.07 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.5 p-80 38.96 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -144.13 168.35 20.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.04 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.6 mtt-85 -100.93 120.01 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -128.67 154.45 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mt -101.06 99.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.37 103.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.28 -24.37 42.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.5 65.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -87.41 -26.86 23.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 84' ' ' THR . 55.7 t -54.89 128.4 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 49.9 mt-10 -85.46 -33.44 21.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.03 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.17 156.27 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.27 144.41 23.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -145.45 1.53 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -140.33 166.83 20.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.401 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.3 Cg_endo -74.98 98.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -83.25 -179.73 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.51 129.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.0 -43.42 1.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB1' ' CE1' ' A' ' 79' ' ' PHE . . . -44.76 159.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.89 28.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -66.69 -44.46 81.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -43.13 -59.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' A' ' 79' ' ' PHE . 96.7 t -53.43 154.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.487 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.2 t0 -105.34 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.8 pt-20 -82.0 -32.04 30.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -86.45 49.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -145.13 -62.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 98.4 m-85 -43.05 119.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 91' ' ' PHE . 30.1 p90 -129.14 128.81 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.45 130.76 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.7 t -105.94 111.85 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -89.75 125.89 35.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.469 ' CG2' HG21 ' A' ' 58' ' ' VAL . 1.6 p -131.58 -170.02 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.1 p -82.77 -45.87 13.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -58.12 -67.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -161.65 168.16 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.21 140.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -117.12 163.25 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.13 85.48 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 20.8 m-85 -101.42 159.62 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 14.4 p -159.59 152.98 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -92.51 35.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 176.88 163.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -76.18 -46.47 3.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -16.47 20.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 m -82.08 -35.68 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.8 -54.54 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.81 -43.09 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.94 -39.33 89.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.4 m95 -63.54 -60.94 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.059 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.27 -58.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -56.75 4.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -50.02 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.19 -53.88 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.08 -23.33 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -7.92 56.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.956 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.315 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 72.14 -60.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -41.5 122.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.84 158.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 54.61 174.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.84 -149.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 12.13 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 m -151.37 -166.5 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.684 ' CD2' ' CD ' ' A' ' 105' ' ' ARG . 11.7 t80 -111.38 163.14 14.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.76 132.38 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.01 171.57 41.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -67.38 140.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mt -151.39 119.08 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.493 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 52.2 m-85 -89.64 167.56 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -139.11 138.48 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -44.34 146.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.04 -61.43 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 66.88 10.97 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.88 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -53.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -71.35 157.88 89.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.08 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.8 m0 -56.91 158.07 5.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.052 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 128.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -87.98 120.94 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 165.18 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -98.89 105.93 18.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.9 m-30 -90.88 166.78 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' ARG . 10.1 t -137.48 110.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -88.59 83.77 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -78.35 118.28 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -88.16 -25.34 23.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -79.18 -34.32 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 2.5 mmtp -100.27 -13.79 18.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 50.02 51.09 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' NE2' HG12 ' A' ' 52' ' ' VAL . 9.6 mt-30 -139.55 164.38 30.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -112.52 106.85 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.8 mtm180 -110.75 120.35 42.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 52.8 p90 -125.01 130.06 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.1 m-85 -109.45 140.42 43.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.02 -40.19 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -132.3 146.07 51.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.78 109.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 tpp 69.69 72.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' THR . 8.4 t0 -95.7 165.75 12.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -37.79 -53.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -148.19 166.41 27.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 p -71.77 142.83 49.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -120.28 91.77 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.78 145.09 17.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG12 ' NE2' ' A' ' 37' ' ' GLN . 5.6 t -141.19 147.43 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.24 97.24 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -60.04 103.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.0 mt -53.55 -25.85 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -10.11 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.24 18.46 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.6 t -98.39 124.95 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 42.5 mt-10 -77.78 -33.2 52.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.12 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.64 157.6 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.98 144.74 20.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.85 -173.11 49.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -111.5 159.29 33.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 0.799 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.96 121.75 6.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.9 p -102.97 -169.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -74.59 136.86 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.77 -39.2 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.74 166.48 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.71 38.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -93.81 24.62 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -101.2 -68.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 75' ' ' ASP . 7.5 p -59.22 166.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' N ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -103.42 -171.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.26 -31.35 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -82.72 52.59 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.26 -52.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 56.5 m-85 -47.94 131.75 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.18 127.29 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 143.3 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.1 t -114.51 119.26 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 130.64 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.46 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -136.33 -178.94 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.4 p -70.21 -43.13 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -61.42 -68.0 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -163.77 178.53 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.247 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.84 145.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -124.15 141.82 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -108.78 117.4 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -135.61 159.87 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 26.3 p -163.95 143.11 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -176.59 4.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.57 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.8 t0 174.56 150.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -60.93 -46.63 96.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.99 -59.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -39.53 -29.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' PRO . . . -75.09 -53.45 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' PRO . 29.3 mm-40 -47.02 -39.81 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.05 -36.01 82.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 22.7 m95 -63.3 -45.63 90.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.03 -64.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.83 -41.79 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.684 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 9.6 mtt-85 -61.0 -60.25 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.73 -43.66 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 1.5 mm-40 -66.33 -26.02 67.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -73.36 -7.2 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 67.97 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 47.9 mt -86.62 -105.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -123.84 147.32 47.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.1 m -73.13 128.18 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.48 -145.48 6.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -98.64 171.49 8.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.1 m 62.14 111.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.8 104.13 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.34 107.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.97 162.34 18.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t 176.06 -59.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' OE2' ' A' ' 11' ' ' GLU . 16.7 m -69.54 168.7 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.81 -130.51 0.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -98.36 18.55 16.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.9 -165.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.74 152.29 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 19.0 pm0 -141.4 154.2 45.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.02 157.85 14.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -61.37 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 102' ' ' TRP . 9.8 mt -151.17 119.09 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 28.1 m-85 -86.69 128.02 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -113.75 108.05 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.27 157.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.98 -54.23 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.6 165.94 32.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 22' ' ' LYS . 29.9 m-85 -60.18 146.01 44.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.0 mtp 68.89 -60.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' PHE . 22.7 mttt -43.23 161.38 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.21 14.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 9.6 m0 -96.37 148.74 22.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.5 108.83 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -86.03 114.5 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.73 156.43 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.61 131.08 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 2.8 m-30 -114.03 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' ARG . 60.0 t -138.44 127.69 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -101.46 85.16 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 1.8 t0 -67.25 146.03 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -121.0 -41.86 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -51.2 -43.61 61.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 7.6 mttp -117.29 7.83 12.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.8 p-80 40.38 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -152.61 169.55 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.27 104.11 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 37.9 mtt180 -107.76 126.57 52.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 6.3 p90 -132.32 145.3 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -136.31 169.38 17.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -15.81 57.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -119.82 147.86 44.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -47.85 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 ptm -131.64 59.18 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.39 166.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.6 t -98.62 -34.43 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -100.0 136.02 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.8 m -88.29 112.74 23.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -120.43 93.45 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.538 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 115.07 140.23 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t -155.2 147.31 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.489 HG23 ' CE2' ' A' ' 89' ' ' TYR . 5.9 mt -135.53 100.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.32 100.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.07 -25.67 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.15 63.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -80.6 -14.16 58.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG23 ' CG2' ' A' ' 84' ' ' THR . 72.6 t -71.93 127.27 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.1 mm-40 -89.64 -29.43 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 167.62 163.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 157.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.55 143.97 23.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.96 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.789 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.95 -168.67 22.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.574 1.172 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -119.95 160.7 41.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.0 p -86.14 -179.17 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.28 128.12 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 97.71 24.71 11.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.25 162.24 23.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 127.13 10.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 56.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -140.1 -58.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.72 158.27 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.67 -178.69 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -74.58 -30.51 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 76' ' ' GLU . 10.9 mtmm -82.35 52.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -153.84 -46.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 87.4 m-85 -54.21 131.27 41.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -140.8 130.84 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.67 132.65 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.4 t -104.19 112.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -90.49 124.36 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.422 ' CG2' HG23 ' A' ' 58' ' ' VAL . 21.6 p -128.76 -172.16 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 p -73.51 -58.48 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -68.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 84' ' ' THR . 6.5 ptt180 -163.22 173.62 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.6 144.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.524 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 23.6 m-85 -115.84 164.91 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.431 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 32.9 m120 -126.62 99.99 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 66.0 m-85 -119.69 157.65 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.34 137.6 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -165.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.01 -17.44 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.1 t0 -129.04 161.28 30.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.599 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -71.07 -46.7 14.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.97 19.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -78.99 -37.55 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -66.43 -51.44 56.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -46.84 -42.06 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HB3' ' NH1' ' A' ' 105' ' ' ARG . 31.9 mt-30 -63.89 -34.42 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 51.7 m95 -68.43 -59.25 3.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.8 t -45.4 -58.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.2 t0 -48.47 -58.62 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 101' ' ' GLN . 18.2 mtt85 -44.36 -60.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.67 -53.75 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 1.6 mm-40 -56.49 -17.63 8.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -79.81 -6.55 57.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.46 65.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 55.5 mt -84.7 -106.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.95 -53.38 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m -155.05 165.6 36.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.95 -145.78 11.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 116.71 4.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -59.72 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m 58.75 108.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -141.17 143.92 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 p -89.86 -38.83 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.22 99.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -75.66 -54.96 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -52.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.61 -127.4 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.01 130.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -118.79 -161.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CG ' ' NE ' ' A' ' 105' ' ' ARG . 5.5 t80 -106.92 166.88 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -166.61 133.46 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.19 164.94 38.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.95 142.61 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 102' ' ' TRP . 8.8 mt -151.33 119.08 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 11.3 m-85 -83.82 146.92 27.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -122.15 129.54 52.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.1 tttt -52.32 131.94 33.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.62 64.03 0.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.9 -175.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 21' ' ' MET . 5.8 m-85 -90.43 176.85 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.4 ttm 76.92 -69.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -79.68 158.99 72.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 176.41 9.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.0 m0 -83.27 155.69 23.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.054 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.67 136.9 41.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -97.38 126.64 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 170.58 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 76.9 t-105 -96.94 115.04 26.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -103.42 170.45 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 t -140.04 137.46 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -115.21 84.43 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 34' ' ' THR . 28.5 t0 -74.24 140.22 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -108.74 -26.34 10.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 48.3 p -77.1 -32.83 56.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -29.46 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CD2' ' HB3' ' A' ' 109' ' ' CYS . 0.1 OUTLIER 66.62 55.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.557 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -141.38 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -107.3 111.21 23.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.6 mtt180 -112.09 124.59 52.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 40.3 p90 -127.63 130.87 49.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 49' ' ' CYS . 10.4 m-85 -106.65 139.08 41.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -44.55 -33.7 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -135.03 168.0 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.61 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -54.87 10.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.36 108.51 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -126.41 160.68 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -62.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.71 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 30.1 p -70.69 145.48 50.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 3.5 mtpt -118.36 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 40' ' ' TYR . . . 107.23 160.6 21.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t -150.78 151.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.525 HG22 ' CE2' ' A' ' 89' ' ' TYR . 1.4 mt -137.0 98.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -54.04 120.37 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.58 -32.57 60.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -15.09 62.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -91.05 -26.53 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 t -52.56 117.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.2 mt-10 -74.04 -30.74 62.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.46 165.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.29 157.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.47 20.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.65 179.43 33.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -110.65 155.7 41.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.378 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.96 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 p -95.39 -168.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.75 132.25 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.9 -50.04 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.67 156.47 1.18 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.9 22.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -46.83 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -38.59 -53.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.405 ' CG1' ' CE2' ' A' ' 79' ' ' PHE . 91.6 t -58.61 146.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 150.38 24.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 pt-20 -54.25 -25.99 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -77.49 0.22 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -119.51 28.89 7.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 14.3 m-85 -129.6 116.79 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -134.65 130.65 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -88.52 140.64 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.38 108.61 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HG2' ' CG2' ' A' ' 88' ' ' VAL . 49.0 mttt -89.73 122.88 33.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.3 p -125.44 -173.14 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -77.71 -31.24 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -74.81 -75.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 7.8 ptt180 -149.37 176.57 10.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.444 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.3 t -88.66 135.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.525 ' CE2' HG22 ' A' ' 53' ' ' ILE . 31.2 m-85 -113.02 140.81 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.61 101.91 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.4 167.69 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 1.6 p -169.47 133.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -75.81 -178.24 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.77 -23.87 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -123.56 171.57 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -76.01 -48.72 3.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.93 -18.27 19.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -75.04 -38.13 61.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -67.99 -53.57 25.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -44.97 -45.09 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.11 -42.38 94.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 43.6 m95 -58.95 -58.75 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.83 -59.31 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -44.91 -56.35 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.601 ' NE ' ' CG ' ' A' ' 10' ' ' TYR . 1.9 mtt85 -49.57 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.4 mt -50.79 -56.04 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -53.19 -30.16 36.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' ASP . 8.0 t -76.97 -5.48 48.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 39.4 m -89.07 -63.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 109' ' ' CYS . 0.0 OUTLIER -33.79 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 156.8 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.24 154.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 163.61 -145.27 10.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.14 4.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 43.82 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.5 p -134.42 -57.99 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 m -133.65 170.11 16.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -150.81 100.44 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.88 -102.06 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p 58.35 169.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -93.81 111.84 23.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.13 178.12 15.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 17.94 14.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -141.76 -169.21 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -114.82 111.65 21.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.89 158.95 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.31 156.2 10.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.95 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD11 ' CZ2' ' A' ' 102' ' ' TRP . 7.6 mt -148.69 118.8 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.1 m-85 -84.47 156.82 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 163.31 21.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.607 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 5.4 ttpt -112.51 146.08 39.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.11 117.89 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -165.72 -171.5 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' LYS . 29.0 m-85 -82.41 86.2 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 69.1 -58.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' PHE . 3.8 mmmt -41.03 160.75 0.13 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 13.8 m0 -52.26 145.73 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 107.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -100.47 144.36 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -110.95 125.06 53.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 162.32 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.22 120.67 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -108.32 167.91 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 93.2 t -134.11 135.04 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -107.71 84.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.57 143.66 46.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -120.26 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -52.42 -42.5 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.4 mttt -117.04 6.19 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 40.72 88.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -156.61 168.09 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.37 106.25 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 36.3 mtt180 -110.75 123.8 50.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 47.2 p90 -124.98 137.19 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.6 m-85 -126.52 164.56 20.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.56 -39.86 57.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 157.33 35.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -50.84 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -82.52 52.71 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.65 159.86 21.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -130.44 45.75 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.12 113.96 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -91.71 127.04 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.264 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.5 mtmm -119.81 91.52 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.92 143.46 14.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.24 147.98 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 89' ' ' TYR . 2.1 mt -125.44 103.28 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -64.84 113.09 3.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 mt -65.18 -30.72 71.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -13.74 58.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -94.07 -21.2 19.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 84' ' ' THR . 56.8 t -60.55 129.07 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 40.9 mt-10 -86.79 -32.9 20.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 166.94 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -134.06 157.67 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.45 144.59 21.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.78 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' PHE . . . -99.12 -177.74 31.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 p -109.57 159.77 30.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.95 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 p -77.03 -173.28 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.45 136.99 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.64 -39.47 2.82 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HA ' ' CG ' ' A' ' 24' ' ' TRP . . . -50.11 165.99 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.96 29.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -88.28 47.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -136.71 -51.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 75' ' ' ASP . 58.7 t -66.99 143.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.434 ' N ' HG11 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -81.21 -174.53 4.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.59 -24.29 27.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -91.31 51.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.78 -50.98 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 86.8 m-85 -51.08 125.3 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -137.17 128.98 28.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.1 133.42 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 71.1 t -105.05 115.21 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.471 ' CG2' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -130.47 164.22 25.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -57.64 -52.91 63.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 84' ' ' THR . 23.4 ptt180 -166.06 164.2 18.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -73.88 141.03 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 53' ' ' ILE . 23.2 m-85 -115.5 165.6 12.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 28.9 m120 -127.06 103.41 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -126.2 157.55 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 79' ' ' PHE . 21.4 p -164.52 145.21 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -84.6 -176.53 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -17.8 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -129.74 170.59 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.4 t -74.34 -46.86 5.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -20.64 16.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -73.62 -38.55 65.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -67.58 -52.64 36.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -45.42 -44.63 12.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -57.55 -39.55 76.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 67.7 m95 -65.02 -60.24 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 108.051 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.4 t -43.72 -61.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.1 t70 -44.63 -63.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -40.51 -67.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.68 -53.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -53.52 -24.67 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ASP . 5.0 t -75.29 -8.69 57.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.96 72.31 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.2 mt -96.17 -106.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.32 -54.51 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 p -131.9 136.71 47.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.74 -179.85 29.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.6 36.8 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.15 115.65 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.2 p -62.61 137.51 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -127.01 161.14 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p -104.94 129.01 53.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 -142.68 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.14 -58.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -43.85 147.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 128.6 9.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -170.02 126.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.781 . . . . 0.0 110.259 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.28 -169.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -114.23 125.83 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.54 143.44 49.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.79 149.9 10.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -49.97 138.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 102' ' ' TRP . 10.4 mt -150.99 118.76 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -82.51 157.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 26.6 ttpt -142.16 107.08 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.6 tttm -40.44 149.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.51 -111.71 1.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.91 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.87 158.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -46.87 -53.61 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' MET . 9.9 mtmt -41.35 161.26 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.6 28.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.442 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m0 -51.19 134.27 27.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -68.54 125.38 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.62 125.36 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -135.48 160.38 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -84.76 125.21 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 107.969 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.5 m-30 -110.01 169.63 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 66.2 t -138.35 125.84 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -103.47 85.08 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.17 158.26 36.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -125.58 -43.4 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -47.67 -45.54 28.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 22.6 mttt -117.42 0.52 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.6 p-80 45.23 88.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -151.51 163.83 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.591 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.58 106.93 15.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.8 mtp180 -113.89 123.5 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 54.1 p90 -123.8 135.33 53.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 2.8 m-85 -122.19 168.42 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.44 -28.7 56.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -101.51 -171.8 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -93.28 -13.4 28.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASP . 5.4 ptp -140.59 -45.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER 39.61 -157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -138.87 -51.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.74 139.98 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 40.1 m -81.46 139.3 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 13.6 mmmt -120.88 91.49 3.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 85.17 127.11 1.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.98 145.52 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 38' ' ' LEU . 1.7 mt -122.4 102.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.42 105.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.77 -28.07 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.02 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -82.62 -14.57 54.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 84' ' ' THR . 98.4 t -65.84 140.61 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 73.6 mt-10 -104.21 -31.17 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.233 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 167.05 164.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -131.67 157.78 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -145.28 143.85 21.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.05 -174.03 46.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -113.94 159.44 36.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.6 p -106.18 -167.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.8 133.77 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.77 -36.44 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.45 158.69 3.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -102.54 -40.8 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -39.05 -65.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 93' ' ' ALA . 12.6 p -64.06 150.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 74' ' ' VAL . 2.7 t0 -95.31 -164.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.88 -28.62 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -85.7 48.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -146.97 -47.19 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 73.7 m-85 -52.23 128.76 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -142.28 131.04 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.18 131.72 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.1 t -104.21 112.45 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -90.14 126.12 35.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 p -132.46 160.2 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.2 p -50.28 -46.56 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.79 -72.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 4.9 ptt180 -155.76 -169.92 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -102.1 147.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -122.32 161.59 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.62 79.66 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.95 162.01 13.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.3 p -165.96 140.3 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.495 ' O ' ' CG2' ' A' ' 74' ' ' VAL . . . -84.3 -175.85 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -15.38 20.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.47 159.99 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -73.12 -47.49 7.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.9 m -82.29 -35.28 28.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -66.81 -51.02 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -47.31 -37.14 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 105' ' ' ARG . 23.1 mt-30 -66.8 -34.81 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 57.4 m95 -68.04 -54.22 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.37 -62.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' SER . 14.2 t70 -43.07 -60.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 101' ' ' GLN . 5.1 mpt_? -42.69 -70.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.87 -47.85 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -58.62 -23.39 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -76.35 -7.05 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 68.3 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 75.0 mt -91.56 -105.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -56.13 4.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.3 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.43 -175.62 15.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.53 5.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.2 m -61.13 -58.13 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.5 p -125.32 79.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -168.33 167.97 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.043 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -109.85 150.1 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.57 -142.91 3.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -81.66 114.22 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.03 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 p -131.67 145.8 51.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.52 62.57 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.42 13.26 7.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.756 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 166.62 170.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -112.16 127.85 56.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -120.45 141.61 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.24 166.55 37.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 3.1 mm -67.42 138.87 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD11 ' CZ2' ' A' ' 102' ' ' TRP . 12.4 mt -151.09 119.14 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.53 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 19.1 m-85 -82.32 164.56 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -148.25 130.79 15.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.1 tttt -69.05 161.34 29.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.49 99.62 2.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 176.95 165.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -53.28 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 ttm -38.33 -47.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -41.07 160.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.67 10.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.4 m0 -49.35 122.93 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -68.89 133.6 48.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -98.62 122.35 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -132.01 162.35 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -81.43 127.51 32.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.039 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.489 ' CG ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 m-85 -109.85 171.4 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.6 138.45 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.2 84.69 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 35.2 t0 -75.86 141.42 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -109.19 -35.66 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 49.6 p -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 4.3 mmtt -104.68 -12.4 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 49.95 58.33 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -138.86 164.7 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.38 109.32 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.67 121.52 44.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 35.7 p90 -127.93 148.8 50.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -137.57 165.28 26.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.0 -36.08 80.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -118.87 -175.68 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -91.21 118.09 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.0 ttm 64.82 51.91 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.02 154.74 19.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 t -91.64 35.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -152.69 107.69 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.0 140.64 35.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 11.5 mmmt -113.41 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 135.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -106.16 156.57 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.547 HG21 ' CE2' ' A' ' 89' ' ' TYR . 3.0 mt -106.76 96.29 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.68 106.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -16.41 31.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.94 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.05 -25.47 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 84' ' ' THR . 43.1 t -55.22 124.2 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.4 mm-40 -80.44 -31.36 37.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.38 160.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.39 156.02 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.58 144.43 22.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 89.32 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.557 1.82 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 -174.04 41.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -115.29 160.23 35.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.99 136.85 20.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -114.29 -179.13 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.6 114.3 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.42 -38.79 1.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.53 165.05 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.66 25.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -82.89 52.21 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -141.8 -50.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 75' ' ' ASP . 50.1 t -62.97 164.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -115.03 149.92 36.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -52.73 -20.2 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -91.28 31.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -151.63 22.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 27.4 m-85 -119.38 107.97 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CE2' HG21 ' A' ' 82' ' ' VAL . 30.6 p90 -121.2 130.11 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.57 116.66 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG21 ' CE2' ' A' ' 80' ' ' PHE . 41.9 t -90.78 106.61 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -81.24 129.35 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.463 ' CG2' HG23 ' A' ' 58' ' ' VAL . 1.4 p -136.22 173.21 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 p -65.56 -51.84 56.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -162.77 -170.24 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.22 132.86 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 53' ' ' ILE . 19.1 m-85 -105.95 150.13 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.76 81.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 39.5 m-85 -98.95 158.44 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.8 p -164.3 139.88 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -81.74 174.56 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.404 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.0 -18.09 31.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -129.68 163.44 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -70.46 -47.42 18.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 -18.43 18.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 m -76.59 -36.2 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -67.68 -53.39 28.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -44.69 -43.19 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -61.74 -46.46 89.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 63.0 m95 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 63.9 t -44.77 -65.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 32.5 t0 -39.74 -59.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.61 -69.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.22 -55.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.421 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 0.6 OUTLIER -50.95 -32.6 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 4.4 t -64.43 -11.81 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.6 69.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 29.0 mt -80.06 -100.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.25 -45.3 7.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.82 -64.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.0 -147.7 22.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 132.04 14.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.2 p -62.0 141.23 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.45 108.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -166.96 96.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -159.98 108.97 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.91 107.25 2.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.45 134.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -61.49 148.05 43.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.21 -155.48 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.78 132.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -119.17 -167.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 13.3 t80 -110.83 169.32 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -168.85 136.95 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.82 167.21 39.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.04 140.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 7.4 mt -150.96 118.98 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.3 m-85 -86.67 159.08 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 7.7 ttmt -136.53 140.38 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 20.9 tttm -59.5 141.05 55.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.05 83.54 0.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 49.02 -169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -98.61 50.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -85.64 157.7 57.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 5.4 m95 -92.62 115.93 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -83.57 136.85 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -81.57 134.2 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.61 161.3 37.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -94.83 115.59 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 38' ' ' LEU . 3.5 m-30 -100.53 167.64 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.4 t -140.86 116.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -95.16 84.38 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.59 131.24 37.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -30.21 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -72.23 -36.4 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 12.1 mmtt -105.18 -6.9 19.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.7 p-80 45.09 67.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.414 ' N ' HD11 ' A' ' 55' ' ' LEU . 1.3 pt20 -152.12 155.23 37.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 29' ' ' PHE . 3.8 tt -108.2 99.57 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' VAL . 11.0 mtm180 -100.32 127.45 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 38.1 p90 -122.95 139.69 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 20.3 m-85 -127.19 160.43 31.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -37.84 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -124.14 129.58 51.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -48.26 -52.74 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ttp -77.13 63.76 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -120.9 134.2 55.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -108.3 36.97 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -157.05 125.07 5.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 63.0 m -75.52 140.38 42.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -121.0 91.36 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.77 123.0 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -112.31 149.42 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 89' ' ' TYR . 1.6 mt -123.04 105.06 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -62.24 104.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 37' ' ' GLN . 31.2 mt -62.78 -22.01 66.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.84 -6.2 43.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -101.91 -12.27 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.98 123.4 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 47.2 mt-10 -81.95 -29.53 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.35 162.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.77 155.5 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.02 143.7 29.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.55 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.89 -172.68 47.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.11 161.4 33.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.2 p -112.09 -175.73 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.63 135.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.95 -40.38 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.572 ' HA ' ' CD1' ' A' ' 24' ' ' TRP . . . -43.25 160.79 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.62 19.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.7 65.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.7 p -151.18 -60.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 4.5 p -66.28 153.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.0 -167.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.06 -28.88 22.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -84.24 50.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -147.54 -46.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 76.6 m-85 -55.34 124.95 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -137.67 128.52 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.68 134.04 34.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.14 109.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 120.36 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -124.39 -174.58 3.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.8 p -78.83 -48.15 15.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 84' ' ' THR . 13.8 ptp180 -158.94 169.49 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.12 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 53' ' ' ILE . 23.4 m-85 -116.83 153.48 32.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -116.68 97.63 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 21.6 m-85 -117.48 159.83 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.7 137.41 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.15 -168.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -25.1 14.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -126.5 176.09 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -78.38 -49.08 1.84 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 -30.46 60.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -74.44 -48.15 29.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.56 -36.97 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.38 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 50.7 m95 -71.4 -50.5 31.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.4 t -50.02 -61.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -50.1 9.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.562 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.66 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.55 -50.05 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 23.7 mt-30 -54.4 -25.91 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -75.99 -6.52 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 57.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 27.5 mt -73.36 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.0 p -71.73 166.23 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -59.95 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.37 154.71 6.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.7 98.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.99 106.97 9.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t 46.17 86.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.59 140.45 47.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -156.95 -61.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -74.23 -55.44 6.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.14 -59.91 0.37 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -168.07 130.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.793 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 2.1 t 64.97 160.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 27.1 t80 -113.55 165.93 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.29 131.93 16.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -170.99 170.23 43.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 3.4 mm -68.95 139.38 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 14.3 mt -151.37 119.56 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 9.4 m-85 -84.66 156.82 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -131.61 122.13 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tttm -47.39 148.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.31 -80.64 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.02 -174.73 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -95.76 38.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.26 -46.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -98.36 159.06 31.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.95 43.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.803 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLY . 16.8 m0 -57.12 152.65 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -79.35 117.45 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.45 114.47 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -141.43 164.01 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.0 t-105 -81.76 121.64 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.509 ' CG ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 m-85 -103.3 169.38 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 92.4 t -139.83 134.84 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -104.65 85.04 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 1.1 t70 -73.6 136.66 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -39.53 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -54.92 -41.38 70.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -107.46 -18.19 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.7 OUTLIER 65.14 73.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.578 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -151.48 168.42 24.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 83.8 mtt180 -104.26 127.29 51.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 41.6 p90 -128.06 140.38 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 6.8 m-85 -123.36 166.82 14.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.09 -40.99 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -115.29 176.58 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.577 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -90.53 -37.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 42.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.49 146.97 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -116.37 43.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 3.3 mt-10 -149.16 122.86 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.87 116.79 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -116.71 92.53 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 106.54 148.85 16.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.2 151.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.1 mt -139.41 98.48 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.26 116.21 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.9 mt -68.4 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -15.94 58.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -88.43 -26.45 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.75 128.52 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 50.0 mt-10 -90.15 -31.73 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 169.08 177.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -140.17 157.67 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.31 144.42 21.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.56 -167.26 41.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 p -123.17 158.19 58.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.0 135.17 18.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 p -127.55 -153.48 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 69' ' ' GLY . 53.6 mt -58.96 159.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 39.75 54.22 2.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . . . -83.49 -174.53 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.97 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' C ' ' CG2' ' A' ' 73' ' ' THR . 5.1 mmtt -73.24 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 72' ' ' LYS . 5.5 p -152.86 76.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 71' ' ' PRO . 70.8 t -106.22 149.65 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -81.25 123.75 28.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 5.5 pt-20 -36.7 -34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.2 mtpt -62.29 -55.9 23.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -40.0 -61.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 86.0 m-85 -33.72 138.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 40.3 p90 -159.44 124.82 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -84.53 131.53 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.4 t -104.57 104.72 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -77.0 127.35 32.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.474 HG22 ' CE2' ' A' ' 89' ' ' TYR . 1.1 p -130.75 -173.88 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 p -79.79 -41.35 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -64.67 -70.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 34.2 ptt-85 -158.29 161.84 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.38 138.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.474 ' CE2' HG22 ' A' ' 84' ' ' THR . 22.6 m-85 -111.07 165.37 11.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.406 ' ND2' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -132.13 89.46 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 23.0 m-85 -109.33 158.06 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 79' ' ' PHE . 13.8 p -156.85 155.17 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . . . -99.67 170.34 8.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -84.31 -0.27 51.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.85 166.34 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -75.5 -47.4 4.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -17.38 19.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 m -78.3 -39.98 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.27 -51.22 47.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -46.26 -43.9 16.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.73 -42.02 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 47.9 m95 -59.62 -57.59 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.1 -61.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -55.15 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 108' ' ' SER . 9.1 mtt-85 -53.62 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.95 -49.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.48 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 4.4 mm-40 -59.0 -29.73 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -82.75 -5.65 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 3.4 m -136.02 61.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 107' ' ' GLN . 36.2 mt -103.06 -136.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.77 151.94 23.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -127.16 88.95 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.4 -171.82 12.88 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 99.53 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.4 p -177.22 138.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -60.95 114.09 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p -145.42 -48.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -103.9 158.53 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.19 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -40.57 140.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 68.8 133.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.12 -127.97 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.43 -158.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -139.13 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 21.2 t80 -114.53 157.28 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 pm0 -146.57 163.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.62 151.45 6.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.96 144.12 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.2 mt -151.2 119.03 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.473 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 6.6 m-85 -81.95 167.33 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -145.3 120.34 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.529 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.7 tttm -59.42 161.3 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.03 102.51 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 174.88 160.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -52.49 -174.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.26 -42.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -46.38 160.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.5 29.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.529 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.5 m0 -47.35 146.13 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 20.7 tptm -83.85 149.84 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' CE1' ' A' ' 15' ' ' TYR . . . -106.29 120.12 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -121.42 162.32 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 73.8 t-105 -96.42 104.77 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.671 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.3 m-30 -89.57 170.86 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ARG . 14.8 t -145.16 114.23 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -89.92 83.79 6.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -80.16 128.2 33.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -96.71 -36.1 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.9 p -70.65 -30.31 66.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.78 -30.62 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.92 39.84 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.637 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -136.79 163.42 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.671 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.5 103.23 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 4.2 mtt180 -100.59 122.54 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 34.7 p90 -130.4 144.59 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.7 m-85 -123.26 164.99 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.4 -33.33 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' C ' ' OD1' ' A' ' 46' ' ' ASP . 26.0 m-70 -122.23 -171.88 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HG3' ' CD2' ' A' ' 28' ' ' TRP . 14.4 ttp-105 -107.77 11.87 27.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.85 37.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -95.46 129.93 42.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -78.38 -31.61 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.377 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -103.0 138.93 39.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 t -97.26 142.51 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 10.9 mmmt -120.0 91.42 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.46 152.03 19.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.69 155.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -136.61 101.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.96 120.86 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.24 -26.95 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.79 -8.62 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -98.58 -23.34 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.3 128.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 56.5 mt-10 -90.33 -31.12 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 162.97 175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -138.27 157.64 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -144.82 144.25 23.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.91 6.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.81 -173.67 27.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -113.32 160.85 29.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.99 115.56 4.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.9 p -98.04 -174.49 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.432 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.81 136.23 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.61 -40.02 2.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.83 165.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 175.69 10.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -102.3 -46.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.87 154.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -160.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.31 -30.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -84.61 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -147.73 -47.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 52.3 m-85 -49.47 127.53 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -145.16 130.34 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.53 135.45 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -105.38 115.06 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -92.69 134.98 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 2.2 p -138.2 -170.92 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.1 p -79.48 -41.31 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -72.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 9.7 ptt180 -154.59 175.86 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.99 144.53 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.07 161.93 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -130.75 93.09 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -104.47 167.01 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -152.95 160.19 43.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.97 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.49 34.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.19 164.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.05 -46.26 3.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 -17.11 19.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 m -78.48 -35.32 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.933 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -69.34 -53.1 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -46.32 -45.97 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.19 -35.96 80.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 14' ' ' LEU . 22.7 m95 -66.53 -51.84 52.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.42 -56.21 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -45.21 -46.52 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -61.39 -61.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 13.7 mt -51.44 -50.46 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.428 ' C ' ' HG ' ' A' ' 110' ' ' LEU . 3.1 mm-40 -59.35 -14.85 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 t -96.97 -5.17 38.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.8 p -98.07 -27.39 14.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' CYS . 4.0 mt -37.1 -36.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -152.26 126.14 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p 174.3 86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.67 155.09 50.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -41.37 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 111.057 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.41 -54.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.8 162.45 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 p -143.97 -59.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.73 152.79 21.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.81 -175.37 45.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 179.96 131.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 63.11 149.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.68 123.25 5.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.62 142.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 m -146.95 -169.14 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -109.55 156.37 20.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -155.7 152.58 28.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.21 165.48 33.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 2.6 mm -66.41 140.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 102' ' ' TRP . 12.1 mt -151.24 119.12 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 m-85 -85.68 148.75 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.88 119.34 30.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 17.9 tttt -48.11 133.51 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.87 164.17 23.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -75.43 -171.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' MET . 7.7 m-85 -45.11 171.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER 80.1 80.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' ' CE ' ' A' ' 21' ' ' MET . 3.7 mttt 75.95 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 18.2 Cg_endo -75.07 -169.82 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.4 m0 -52.53 135.49 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -76.73 128.88 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -93.56 123.52 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.68 162.75 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -88.55 120.04 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 38' ' ' LEU . 4.0 m-30 -104.67 170.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 75.0 t -135.05 146.64 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.18 84.65 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -70.11 148.54 48.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 2.4 ptpt -122.59 -41.41 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 p -51.64 -44.28 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.46 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 17.5 mttt -115.65 0.17 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.4 p-80 47.36 85.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' N ' HD12 ' A' ' 55' ' ' LEU . 73.2 mt-30 -153.82 155.95 36.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 29' ' ' PHE . 2.4 tt -109.03 103.15 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -108.03 133.33 52.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 34.2 p90 -127.39 132.08 50.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 8.6 m-85 -123.29 168.97 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.69 -38.22 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -115.59 146.14 42.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -29.4 70.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.34 74.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -125.64 143.39 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 t -109.07 36.33 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.26 121.35 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 3.8 m -81.79 132.07 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.236 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.7 mttt -120.71 91.09 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.64 129.26 1.58 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.06 149.7 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.441 HD12 ' CD2' ' A' ' 38' ' ' LEU . 2.0 mt -128.11 101.26 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -57.05 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 37' ' ' GLN . 36.5 mt -57.44 -21.19 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . . . -71.44 -15.32 62.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.9 -14.34 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.1 t -61.61 122.17 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 2.1 mm-40 -78.44 -33.1 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 164.18 157.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.33 149.92 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.75 144.28 35.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.47 -172.52 24.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -108.03 158.24 34.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.439 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.809 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -73.96 179.23 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.48 131.66 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.8 -41.22 2.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 164.56 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -35.16 68.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -47.31 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 79' ' ' PHE . 62.5 t -51.26 145.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.417 ' N ' HG11 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -103.08 155.4 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.68 -20.92 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -91.38 30.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -149.09 20.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CE1' HG13 ' A' ' 74' ' ' VAL . 16.8 m-85 -117.0 110.71 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -125.66 127.74 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.63 120.34 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.5 t -91.06 107.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -84.86 130.31 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -132.93 -171.75 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 p -77.71 -42.64 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -160.08 -175.76 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.83 134.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -106.64 160.38 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.89 92.23 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -112.07 158.22 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.9 p -158.66 137.91 11.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.86 177.99 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.02 13.86 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.44 159.49 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.59 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -69.78 -47.58 23.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.03 -15.8 20.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -80.43 -30.03 37.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.66 -51.93 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -47.17 -40.1 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.452 ' O ' ' NE ' ' A' ' 105' ' ' ARG . 23.0 mt-30 -63.56 -39.63 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 48.3 m95 -64.19 -60.19 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' TRP . 75.3 t -40.39 -63.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -43.94 -65.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -39.77 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' CYS . 40.1 mt -47.69 -56.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.04 -26.09 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -79.11 -18.93 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 110' ' ' LEU . 86.5 m -74.33 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 109' ' ' CYS . 0.0 OUTLIER -34.48 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -67.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -153.99 155.56 35.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.65 169.27 13.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.15 -56.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.4 m -141.09 115.27 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.64 118.45 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.19 -161.67 12.85 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 62.21 72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p 177.15 160.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.1 -162.9 38.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 68.48 139.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -110.64 -166.14 1.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 1.6 t80 -109.69 154.12 23.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.29 122.13 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.572 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -164.34 162.19 35.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' NE2' ' A' ' 94' ' ' GLN . 4.0 mm -59.01 141.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -151.23 118.93 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 54.4 m-85 -90.39 155.48 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 1.8 ttmt -133.28 154.83 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.7 tttm -66.71 173.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -154.95 -64.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 18' ' ' GLY . . . 77.27 1.96 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.07 159.61 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.04 86.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . 10.4 mmtt 70.08 163.12 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.1 m95 -49.54 120.53 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -79.05 146.78 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -108.91 126.4 53.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -140.55 159.55 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.3 t-105 -85.63 124.5 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.956 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.2 m-30 -107.4 167.51 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -140.05 124.43 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.2 92.85 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 152.15 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -42.32 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 p -50.7 -33.82 24.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.6 mttt -129.9 8.78 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 38.58 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -148.77 167.02 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -118.01 108.33 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -108.73 119.95 41.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 26.8 p90 -130.4 147.66 52.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -139.15 164.31 30.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -67.1 -23.36 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -116.31 151.62 35.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 4.6 ttp180 -47.28 -50.69 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 ttp -125.35 83.27 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 51.0 t0 -92.89 166.43 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.422 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 4.3 t -99.21 -38.55 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.98 129.0 46.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.32 151.22 21.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.257 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 17.0 mmmt -120.84 91.03 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 124.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -105.59 157.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.49 HG23 ' CE2' ' A' ' 89' ' ' TYR . 6.1 mt -118.52 97.09 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.33 101.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.22 -19.92 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.18 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' OE1' ' CG2' ' A' ' 85' ' ' THR . 60.6 mm-40 -88.74 -17.68 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -60.45 121.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 51.8 mt-10 -80.02 -29.64 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.47 167.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.39 157.42 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.54 145.09 20.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.67 -167.45 32.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.67 157.76 47.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.95 152.44 41.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.563 1.823 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -133.56 -165.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.4 mt -74.8 135.57 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.65 -46.13 1.27 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.66 156.09 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.95 28.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.26 -37.62 74.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -39.03 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 7.9 p -60.65 156.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 74' ' ' VAL . 1.3 t0 -113.08 179.91 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.4 pt-20 -65.2 -36.9 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -78.39 54.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -157.98 -45.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 92' ' ' CYS . 81.8 m-85 -58.53 119.7 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -127.28 129.34 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.13 138.2 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.4 t -109.52 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -84.89 127.16 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.1 p -128.0 -169.39 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.493 ' CG2' ' OE1' ' A' ' 57' ' ' GLU . 7.2 p -84.82 -47.28 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 87' ' ' ARG . 14.2 ptm180 -59.67 -47.39 85.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -170.4 -152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.501 ' N ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 t -122.9 141.61 42.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' A' ' 53' ' ' ILE . 14.6 m-85 -118.23 146.01 44.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -115.04 98.44 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 16' ' ' LYS . 23.1 m-85 -110.59 160.09 16.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.561 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 23.5 p -162.3 141.1 9.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 108.322 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.28 -169.42 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.59 -15.85 22.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.8 t0 -134.41 169.03 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.22 -47.43 3.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.97 -17.88 19.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 t -79.2 -34.83 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.73 -50.77 55.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -48.25 -44.02 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.37 -33.3 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.422 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 37.7 m95 -72.03 -62.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -45.81 -51.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -49.35 -43.18 43.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 mtt85 -65.27 -56.8 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.5 mt -55.22 -47.25 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -25.12 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -6.42 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 67.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.293 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.77 -106.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 -55.2 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.2 m 59.6 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 137.93 -158.3 24.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.06 17.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.33 124.23 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -93.42 157.85 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.07 170.06 20.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.34 159.3 42.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 73.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 174.46 166.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p 50.43 -179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.38 -128.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.9 14.91 30.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -148.76 -169.89 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 76.0 t80 -111.92 171.14 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 9.5 pt-20 -152.73 178.24 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 163.64 12.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -68.88 139.57 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 102' ' ' TRP . 16.3 mt -151.56 119.6 6.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 7.1 m-85 -88.77 167.83 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -144.24 123.51 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -67.47 107.3 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.16 -64.3 2.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.87 179.77 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -76.01 165.51 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.09 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 155.64 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.78 30.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.535 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 13.2 m0 -73.69 148.93 42.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 131.38 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.561 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -138.64 163.07 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CG ' ' HA ' ' A' ' 44' ' ' ARG . 76.4 t-105 -89.81 114.83 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.7 m-30 -97.91 171.68 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.7 t -140.58 134.44 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -105.42 83.66 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.69 125.23 30.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.39 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 p -73.21 -36.45 66.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 11.2 mmtt -96.75 -13.78 22.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.9 p-80 50.07 47.86 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.648 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -139.77 161.63 37.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -107.97 105.94 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -102.58 123.07 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . 10.8 p90 -134.46 144.25 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -136.73 163.41 30.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.46 -43.18 34.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -125.29 -173.69 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -52.55 -55.78 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 mtt -133.06 91.72 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -100.61 12.78 36.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t 38.44 30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.3 mt-10 -153.37 104.39 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 t -93.66 126.42 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 108.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -105.7 91.26 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . . . 70.35 123.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.0 m -103.16 174.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.736 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HB ' ' CB ' ' A' ' 38' ' ' LEU . 1.8 mt -129.0 99.69 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.01 105.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.17 -25.07 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -12.05 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -97.82 -18.76 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 84' ' ' THR . 89.4 t -68.99 136.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 42.4 mt-10 -95.87 -29.73 14.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 166.03 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -135.32 157.56 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.91 144.55 20.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.99 13.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.46 -166.21 17.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 p -114.33 158.62 39.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 105.17 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -84.84 -175.59 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.67 139.51 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 -38.02 3.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.2 160.14 3.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 168.62 24.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -94.27 -40.86 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -40.77 -58.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 164.55 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.465 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.4 t0 -114.2 -178.86 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -78.62 -29.96 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -84.86 50.25 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.28 -57.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 75.5 m-85 -40.43 132.57 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -146.68 127.11 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.0 138.38 31.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.6 t -109.05 115.33 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -86.71 118.68 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 58' ' ' VAL . 1.3 p -127.02 176.75 7.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.1 p -69.66 -50.2 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -158.94 159.59 35.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.33 138.58 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -113.91 128.24 56.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.94 87.47 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE1' ' HE2' ' A' ' 29' ' ' PHE . 9.9 m-85 -98.13 167.3 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.459 ' SG ' ' CE3' ' A' ' 24' ' ' TRP . 5.7 p -175.47 133.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.53 -143.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -135.95 24.46 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' A' ' 98' ' ' SER . 0.2 OUTLIER -156.51 159.29 38.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -76.05 -47.1 3.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.07 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 95' ' ' ASP . 52.6 m -43.54 -36.31 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 102' ' ' TRP . . . -69.99 -54.31 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -45.02 -38.91 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.63 -37.01 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.519 ' CD2' HD12 ' A' ' 14' ' ' LEU . 79.8 m95 -64.61 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.33 -64.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' SER . 19.3 t0 -43.9 -61.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.545 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 6.6 mtt85 -44.67 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 mt -45.28 -54.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.428 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 24.9 mt-30 -52.23 -28.19 17.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -72.64 -17.75 61.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.6 75.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 97.5 mt -96.95 -109.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -48.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.87 141.88 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.26 157.92 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.8 p -90.76 101.71 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -174.97 125.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -111.98 -72.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -166.19 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.93 177.03 23.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t 177.97 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -165.74 134.32 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.88 84.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 9' ' ' SER . 5.3 tpt180 -176.32 136.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 4.4 m -103.75 -156.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 22.7 t80 -134.59 161.31 35.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.86 150.74 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 165.01 31.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.55 143.84 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 12.5 mt -151.43 118.99 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.2 m-85 -86.72 156.15 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -123.1 165.81 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 40.2 tttm -108.77 153.61 23.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . 37.75 -144.6 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 18' ' ' GLY . . . 83.54 -4.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER 175.5 148.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -37.73 -56.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -42.66 162.69 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.1 m95 -59.42 105.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -74.25 138.1 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -103.5 109.63 21.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -123.44 162.66 22.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -85.73 122.7 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CD2' HD22 ' A' ' 38' ' ' LEU . 3.4 m-30 -107.09 168.81 8.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.9 t -137.11 134.0 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.36 84.78 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 33.8 t0 -75.16 147.19 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -108.28 -37.07 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -72.4 -29.44 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.1 mmtt -105.94 -18.0 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.7 p-80 48.47 53.66 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -132.82 170.28 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.12 105.46 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' OH ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -109.19 123.57 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 55.0 p90 -122.97 135.37 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.44 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 17.6 m-85 -111.34 143.56 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -29.62 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' MET . 43.0 m-70 -142.47 138.8 31.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -41.33 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.9 OUTLIER 80.29 65.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' THR . 36.2 t0 -83.55 165.18 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -37.69 -55.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -148.73 148.57 30.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 p -53.41 138.18 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -120.82 91.48 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 104.73 150.93 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.13 155.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mt -136.78 99.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -57.25 104.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.92 -25.28 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -17.29 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -90.27 -17.81 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.38 122.51 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 48.6 mt-10 -79.91 -31.62 40.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.19 161.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.69 155.07 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.18 144.33 31.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.19 179.75 38.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 p -104.86 156.58 35.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.417 1.746 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -82.82 -178.89 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.69 132.94 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -35.31 5.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.41 164.9 6.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 127.78 10.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -66.33 -48.33 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LYS . 29.7 p -37.3 -55.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 72' ' ' LYS . 49.0 t -60.9 152.65 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -103.73 154.51 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 8.8 pt-20 -51.68 -28.59 15.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 9.7 mtpt -66.81 -9.55 38.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' CYS . . . -111.66 32.76 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 17.0 m-85 -131.62 109.28 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -136.22 128.38 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' ' ND2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -87.12 141.89 28.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.61 110.84 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -88.11 122.26 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.4 p -127.45 -168.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.0 p -83.01 -43.84 15.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -60.26 -67.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -159.3 -173.52 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.05 131.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -111.48 126.63 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' ND2' ' OD2' ' A' ' 81' ' ' ASP . 26.6 m120 -102.11 100.23 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -109.56 173.24 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' ALA . 1.1 p -172.53 133.21 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.356 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.46 -173.4 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -28.11 13.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 154.12 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.613 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.1 t -73.45 -45.55 7.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.0 -15.44 20.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 m -79.71 -34.66 39.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.84 -54.64 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -43.99 -37.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -72.34 -36.93 68.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.9 m95 -63.27 -50.73 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 -63.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.8 -42.72 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 10.1 mtt-85 -60.96 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.02 -47.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.447 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -62.36 -32.88 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ASP . 28.8 t -68.72 -8.33 41.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 110' ' ' LEU . 1.2 m -101.84 -88.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 109' ' ' CYS . 2.9 mt 35.61 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.74 126.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 167.09 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.77 172.42 18.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 73.5 m -120.34 105.16 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -57.77 -56.81 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -161.08 -56.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.01 124.76 38.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.74 65.21 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 109.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -155.8 128.36 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.046 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.66 73.43 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.445 1.09 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' SER . 2.7 mtt85 56.85 96.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER 57.95 158.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.944 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' ' HD3' ' A' ' 105' ' ' ARG . 18.7 t80 -111.31 164.23 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -155.81 126.12 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.3 176.76 36.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.77 142.03 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.58 HD11 ' CH2' ' A' ' 102' ' ' TRP . 7.5 mt -151.62 119.5 6.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 19.1 m-85 -86.48 154.36 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -125.97 128.59 47.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 7.2 ttpt -65.42 128.15 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.47 120.63 4.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.42 -169.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -111.01 156.25 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.51 24.06 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -117.84 159.63 41.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.641 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 12.4 m0 -62.98 158.03 20.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -104.94 143.39 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -97.34 125.17 41.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.56 159.94 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 44' ' ' ARG . 62.2 t-105 -95.41 118.42 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.8 m-30 -103.79 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -136.67 121.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.74 82.74 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -79.01 128.48 33.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -32.78 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 p -67.57 -38.66 84.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 8.5 mmtt -97.86 -7.11 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 7.1 p-80 44.4 42.66 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' CG ' ' HA ' ' A' ' 54' ' ' ASP . 4.4 mt-30 -131.22 171.59 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -115.22 106.75 14.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -102.2 120.22 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 22.4 p90 -132.92 138.71 47.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -131.26 169.77 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -21.97 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -110.49 -178.82 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.62 -43.12 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -67.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 8.1 t70 58.28 160.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -114.32 -27.59 7.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 3.4 pt-20 -107.3 116.64 32.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 31.7 p -86.21 153.2 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.609 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -112.04 90.47 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.14 124.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.1 m -100.23 156.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 HG22 ' CE2' ' A' ' 89' ' ' TYR . 5.9 mt -110.88 98.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -62.09 105.57 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.74 -20.13 32.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.0 65.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -91.76 -22.82 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 82' ' ' VAL . 53.2 t -58.72 127.14 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.9 mt-10 -92.65 -29.43 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 169.67 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.27 156.13 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.64 145.81 24.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.52 5.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' THR . . . -110.9 97.63 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.501 ' CG2' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -37.16 155.42 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.0 p -112.91 -168.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -76.85 117.06 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -29.8 6.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.22 165.72 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.08 13.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 10.9 mptt -64.29 -54.61 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' LYS . 31.8 p -36.75 -54.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 79' ' ' PHE . 65.3 t -62.57 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.23 156.63 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.27 -17.86 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -92.23 29.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.49 20.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 8.2 m-85 -110.35 118.24 35.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -140.78 133.14 28.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -100.11 147.15 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.464 ' CG1' HG21 ' A' ' 58' ' ' VAL . 25.3 t -107.19 113.53 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -87.5 107.96 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -114.93 -177.07 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p -75.84 -47.56 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -56.62 -64.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -167.5 162.4 14.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.7 t -73.64 140.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.448 ' CE2' HG22 ' A' ' 53' ' ' ILE . 21.7 m-85 -116.68 160.57 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 8.0 m120 -121.92 117.15 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 90' ' ' ASN . 22.3 m-85 -136.43 158.64 43.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 29.9 p -161.94 143.75 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.96 178.87 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.63 22.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.23 164.08 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -75.94 -47.02 3.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.02 -16.53 20.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -79.37 -36.11 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.36 -53.64 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -45.07 -42.98 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.1 m95 -66.87 -54.72 19.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -52.82 -64.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.8 t0 -41.64 -50.3 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD3' ' CB ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -52.6 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.3 mt -51.31 -44.71 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -23.95 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -77.42 -5.77 51.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 67.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.13 -108.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.31 173.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.96 165.88 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.06 -177.72 47.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.1 m -84.58 113.0 20.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.59 150.63 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 136.66 34.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -89.76 134.77 34.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.03 101.1 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 p -131.53 70.67 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m 63.42 117.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.05 -78.74 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -157.05 159.03 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 10' ' ' TYR . 3.6 p -68.76 -152.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 43.5 t80 -114.34 170.92 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -151.3 -174.95 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.02 145.41 4.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -55.5 141.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 102' ' ' TRP . 10.0 mt -150.66 119.04 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.6 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 63.1 m-85 -89.21 144.93 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -129.32 115.62 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 7.5 tttt -53.97 121.32 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.89 -178.34 18.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -87.05 -170.31 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 0.769 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' MET . 14.4 m-85 -35.86 101.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 162.4 80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 56.81 164.38 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' TRP . 18.2 Cg_endo -75.02 110.73 3.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 8.7 m95 55.63 170.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -128.58 108.88 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.6 ' CB ' ' CE2' ' A' ' 15' ' ' TYR . . . -75.85 114.07 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 162.57 31.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.5 t-105 -88.51 119.83 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.7 m-30 -104.59 170.98 7.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.9 t -141.05 125.1 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.83 83.91 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -82.17 128.38 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -96.92 -29.75 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -71.27 -37.59 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -94.23 -28.18 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.5 OUTLIER 65.39 39.04 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.611 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -132.54 162.96 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -106.4 107.09 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 6.3 mtm180 -106.42 131.08 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 46.8 p90 -143.36 140.66 30.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.3 m-85 -123.67 158.21 32.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.1 -28.21 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.69 160.55 41.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 106.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 mtm 68.2 74.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' THR . 35.9 t0 -92.46 167.65 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -36.82 -54.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -151.56 155.89 39.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 30.9 p -65.43 141.12 58.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 2.5 mmpt? -116.31 91.34 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.81 146.99 21.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.97 150.39 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.49 96.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.43 106.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mt -61.46 -25.75 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.91 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -87.92 -25.23 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.93 130.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 50.8 mt-10 -93.9 -28.11 16.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 168.13 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.42 153.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.82 144.54 27.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.06 5.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.6 -162.46 33.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -121.24 147.66 47.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 p -94.95 -172.58 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.33 119.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.31 -45.34 1.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.93 162.59 0.26 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.92 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 74' ' ' VAL . 9.0 mttp -119.8 -40.66 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.554 ' CG2' ' CB ' ' A' ' 78' ' ' ALA . 9.1 p -97.28 159.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.27 151.19 33.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.8 pt-20 -44.25 -36.95 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -50.08 71.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 74' ' ' VAL . . . -50.64 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 67.8 m-85 -31.46 127.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -148.7 130.25 14.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -89.64 143.0 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.34 115.29 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -87.91 118.75 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 87' ' ' ARG . 1.2 p -122.39 -175.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.8 p -77.19 -35.14 56.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -70.7 -76.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 4.5 ptp180 -150.96 171.66 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.495 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.8 t -81.98 140.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.585 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 25.3 m-85 -114.51 165.33 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -127.02 96.43 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CE2' ' CB ' ' A' ' 89' ' ' TYR . 62.3 m-85 -115.11 155.21 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.9 p -161.2 148.77 15.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.21 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' NE2' ' HH ' ' A' ' 15' ' ' TYR . 1.6 mt-30 -112.72 29.61 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.6 t0 -177.62 160.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.639 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.2 t -75.18 -44.62 4.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.05 -16.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 m -86.61 -34.3 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.94 -51.14 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -46.72 -38.28 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -65.75 -37.45 86.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 52.2 m95 -62.87 -55.25 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 54.5 t -52.48 -66.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -40.34 -46.96 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -59.18 -64.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 mt -51.3 -55.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -55.44 -28.57 55.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.3 t -79.93 -5.73 56.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 1.8 m -140.09 63.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.51 -108.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.66 133.33 55.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.8 t -70.22 -55.18 9.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.75 157.14 23.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.4 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 t -109.36 139.49 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.53 165.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.57 163.27 34.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.98 161.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.62 -66.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 164.56 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -160.75 132.88 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.84 -22.19 36.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.08 140.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.37 -73.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.63 ' CD1' ' NH2' ' A' ' 105' ' ' ARG . 29.6 t80 -125.79 148.65 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' GLU . 1.1 pm0 -138.13 164.62 28.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 159.88 124.7 0.75 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mm -39.92 138.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 102' ' ' TRP . 5.0 mt -146.37 118.81 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 27.0 m-85 -84.85 166.76 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttmt -144.7 155.42 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.563 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 10.2 tttm -82.81 145.71 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.72 -172.54 12.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.17 -162.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.82 51.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.28 89.26 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt 74.48 164.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.4 11.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.1 m0 -52.1 117.98 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.23 136.61 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . . . -90.79 121.03 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -121.85 158.17 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' ' HD2' ' A' ' 44' ' ' ARG . 57.8 t-105 -88.57 123.34 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 3.1 m-85 -111.5 165.26 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.2 t -140.31 121.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.52 83.15 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' CD ' ' A' ' 39' ' ' ARG . 28.7 m-20 -79.96 115.12 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -35.36 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 p -70.9 -34.36 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 1.7 mmmt -95.51 -7.95 36.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 3.5 p-80 42.85 38.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -130.3 167.08 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -113.42 104.19 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -100.7 119.79 39.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 33.8 p90 -128.43 149.23 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 3.8 m-85 -135.72 169.83 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -41.84 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -119.17 137.9 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.572 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 6.4 ttp180 -55.02 -21.0 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -41.07 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -40.5 122.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -96.4 -15.73 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.29 122.82 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 31.7 p -82.45 134.04 35.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -107.87 91.23 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 40' ' ' TYR . . . 71.33 123.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.26 158.64 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.527 HG22 ' CE2' ' A' ' 89' ' ' TYR . 2.5 mt -117.9 100.66 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.37 111.95 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.9 mt -62.63 -25.84 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -10.7 46.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -98.42 -19.96 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 84' ' ' THR . 78.7 t -64.98 132.31 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 40.4 mt-10 -91.03 -29.58 17.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 162.6 168.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.7 146.15 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.53 142.9 42.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.57 9.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.7 -127.15 5.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.482 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -164.35 166.76 11.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.2 Cg_endo -75.05 91.89 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 p -73.22 -173.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -75.13 125.94 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' O ' ' NE1' ' A' ' 24' ' ' TRP . . . 98.4 27.18 8.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.34 169.44 8.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.68 41.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 42.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.0 p -141.52 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.521 HG11 ' CE2' ' A' ' 79' ' ' PHE . 45.0 t -46.57 157.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -105.95 173.32 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.48 -25.16 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -97.46 52.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.42 -47.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE2' HG11 ' A' ' 74' ' ' VAL . 91.6 m-85 -48.31 133.7 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 27.1 p90 -148.31 128.7 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.03 133.97 34.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.49 112.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -88.01 124.52 33.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.11 -174.61 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.3 p -78.7 -50.15 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -69.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 84' ' ' THR . 19.6 ptt180 -160.81 164.67 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.77 135.71 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 53' ' ' ILE . 26.7 m-85 -107.35 157.28 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.52 97.33 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 17.6 m-85 -114.7 162.64 16.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 p -165.64 135.37 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 99' ' ' ALA . . . -76.39 -170.72 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -18.01 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.0 m-20 -131.84 -179.89 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -77.83 -48.28 2.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -30.36 7.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 m -62.44 -30.17 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -75.47 -52.23 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -47.38 -42.57 22.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.85 -37.49 82.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.5 m95 -67.9 -42.57 80.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.16 -61.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.89 -43.14 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' NH2' ' CD1' ' A' ' 10' ' ' TYR . 26.2 mtt-85 -61.55 -70.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.98 -45.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.36 -27.32 67.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' ARG . 9.1 t -70.69 -10.78 60.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 76.62 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -98.72 -105.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.97 155.38 23.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.4 p -118.68 129.49 55.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -179.78 28.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.47 41.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.8 164.01 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.8 t -176.93 157.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.25 139.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 t -158.0 130.62 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.26 -120.5 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.99 94.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.69 86.75 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -157.69 8.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.22 100.48 6.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.64 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 15.9 t80 -99.59 169.94 8.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -159.74 139.09 11.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.473 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -174.08 171.61 44.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.33 145.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD11 ' CZ2' ' A' ' 102' ' ' TRP . 14.9 mt -151.89 119.25 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.536 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 10.6 m-85 -85.37 135.43 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -115.34 138.23 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 41.9 tttm -67.55 138.54 56.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.43 -127.22 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.62 -175.16 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -90.4 50.99 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtt -162.95 -50.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -88.6 156.38 50.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.42 35.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.2 m0 -64.2 118.0 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.034 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -72.6 129.67 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -91.68 123.2 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -128.85 174.35 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 76.6 t-105 -101.71 108.34 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CD2' HD12 ' A' ' 14' ' ' LEU . 3.2 m-85 -90.64 169.93 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 77.0 t -141.9 123.99 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.15 84.78 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -72.47 134.64 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -36.76 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 p -60.54 -40.57 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -106.58 -11.06 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.451 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER 57.24 75.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.573 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -155.85 172.35 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -121.7 104.76 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 93.4 mtt180 -105.17 125.05 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 55.1 p90 -126.02 142.6 51.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 4.0 m-85 -130.1 167.34 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -34.41 61.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' ARG . 44.7 m-70 -124.36 158.6 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.69 -51.37 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.65 102.99 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.3 t70 -111.68 12.92 21.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 9.0 t 37.48 33.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 2.8 tt0 -150.49 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.85 118.5 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.9 mmmm -119.85 92.12 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.37 138.69 10.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.01 149.88 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG23 ' CE2' ' A' ' 89' ' ' TYR . 7.2 mt -122.28 95.52 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -53.45 106.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.55 -27.26 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.16 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -99.97 -21.99 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 110' ' ' LEU . 41.0 t -61.41 122.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 9.8 mm-40 -84.02 -27.81 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 164.2 179.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -138.22 157.33 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.32 144.71 26.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.32 -173.28 15.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 p -112.57 155.96 43.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 97.44 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 p -74.67 -177.17 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 mt -67.63 139.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.92 -39.43 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.96 164.81 0.88 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.75 12.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.48 57.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -142.09 -65.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.8 t -46.77 160.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -99.75 136.84 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 9.9 pt-20 -39.8 -31.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -61.55 -59.61 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -41.09 -57.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 59.1 m-85 -41.62 130.63 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD2' HG22 ' A' ' 103' ' ' VAL . 28.7 p90 -148.51 131.62 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.48 138.57 32.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.71 114.11 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -87.82 121.22 29.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -127.24 -168.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.2 p -88.41 -41.64 12.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -62.46 -65.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 5.4 ptp180 -163.68 165.18 23.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.54 141.02 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 87' ' ' ARG . 24.0 m-85 -117.98 164.23 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -132.06 105.5 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.403 ' CE1' ' HE2' ' A' ' 29' ' ' PHE . 17.9 m-85 -115.93 165.13 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.557 ' SG ' ' CG ' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -150.73 160.46 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.6 -177.57 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.38 22.75 12.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.99 162.54 2.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.612 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -74.84 -45.92 5.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -17.11 19.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -78.45 -42.43 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.16 -51.38 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -46.56 -44.94 18.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.53 -38.94 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.596 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.8 m95 -64.71 -59.17 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.956 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 61' ' ' VAL . 77.3 t -52.55 -48.34 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -53.78 -57.36 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.43 ' NE ' ' HB2' ' A' ' 10' ' ' TYR . 3.6 mtt-85 -55.31 -46.88 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 14.1 mt -62.27 -51.95 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.434 ' HA ' ' CG ' ' A' ' 110' ' ' LEU . 1.5 mm-40 -58.53 -19.66 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.3 -5.54 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 36' ' ' HIS . 1.0 OUTLIER -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 58' ' ' VAL . 41.0 mt -69.38 -128.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -49.06 135.63 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -90.59 128.78 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.2 -155.91 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.99 29.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 169.6 10.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.9 t -147.86 134.23 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 68.23 -67.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' GLY . 2.4 m -144.48 159.98 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.31 58.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -156.37 94.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -173.3 157.08 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.34 70.8 2.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.73 96.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.14 158.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 9.4 t80 -103.51 165.62 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.88 130.92 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -165.95 -173.78 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mm -80.42 140.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD12 ' CH2' ' A' ' 102' ' ' TRP . 13.2 mt -151.87 119.33 6.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 8.1 m-85 -82.46 167.79 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.36 128.87 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 4.2 ttpt -59.9 165.49 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.16 -146.2 18.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.91 178.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' MET . 2.1 m-85 -75.5 -167.28 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' PHE . 2.0 mtp -36.41 -38.04 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 161.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.87 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 16.7 m0 -43.34 143.37 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -80.76 140.82 35.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 15' ' ' TYR . . . -104.89 110.93 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -125.75 163.52 22.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 74.3 t-105 -88.83 119.46 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CG ' ' HB2' ' A' ' 14' ' ' LEU . 3.5 m-30 -102.61 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 18.8 t -138.59 126.83 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -103.45 83.93 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -76.44 142.2 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.87 -25.66 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 p -80.03 -34.13 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -99.48 -27.85 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 109' ' ' CYS . 0.2 OUTLIER 64.05 48.97 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -136.46 157.55 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD23 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -105.01 106.34 16.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.7 mtp180 -109.88 127.97 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 44.5 p90 -129.94 129.14 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.452 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 6.6 m-85 -106.7 132.4 52.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -46.68 -36.11 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -134.95 138.74 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -40.32 113.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.2 mtt 62.2 53.07 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' THR . 31.4 t0 -69.46 165.56 20.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -37.54 -54.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.1 162.24 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 28.9 p -68.77 134.88 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 27.7 mmmt -115.57 91.43 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 103.56 148.06 18.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.55 1.157 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 53' ' ' ILE . 10.8 t -145.9 145.22 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 ' N ' HG11 ' A' ' 52' ' ' VAL . 1.7 mt -127.29 96.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.53 96.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' VAL . 15.8 mt -50.32 -36.04 30.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.08 -21.67 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.41 -27.05 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 84' ' ' THR . 77.8 t -56.28 134.65 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 29.0 mt-10 -96.08 -30.97 13.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 167.32 176.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.28 150.59 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.42 142.72 43.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.11 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.83 -155.62 15.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.489 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -137.33 167.04 22.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 110.399 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.4 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.4 p -108.51 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -63.59 124.99 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.63 -46.13 1.21 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 79' ' ' PHE . . . -46.98 158.37 0.43 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.68 9.59 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -94.06 -55.99 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' LYS . 27.8 p -37.12 -54.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 79' ' ' PHE . 95.9 t -58.0 148.12 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 2.4 t0 -109.42 169.18 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -64.63 -30.64 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -89.93 56.58 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -156.8 -45.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 97.0 m-85 -57.55 138.22 55.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.34 130.04 14.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.484 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -90.76 134.03 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.92 114.38 44.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -84.51 129.92 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.45 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -139.05 168.38 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.376 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.0 p -61.27 -48.18 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.07 -71.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -162.38 172.12 16.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.484 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 3.8 t -79.02 147.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -122.84 164.56 18.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.8 93.38 3.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -110.75 160.99 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 28.5 p -166.34 146.55 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.21 -166.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.75 -6.01 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -139.82 164.43 30.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.607 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -75.87 -46.33 3.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.86 19.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 p -80.24 -41.31 25.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -61.61 -51.31 69.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -46.72 -39.93 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -69.02 -30.54 68.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.8 m95 -71.08 -48.18 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.88 -66.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -41.07 -42.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 13.4 mtt-85 -60.94 -67.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.416 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 10.6 mt -53.06 -42.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -56.96 -18.26 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -96.88 -5.27 38.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 106' ' ' ILE . 1.7 p -120.48 23.82 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.363 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 107' ' ' GLN . 86.4 mt -62.24 -119.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.6 t -112.14 -59.65 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.7 m 65.53 118.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.47 -142.63 4.85 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -162.39 166.01 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.1 t -176.84 139.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -119.9 120.67 37.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.953 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -142.63 -58.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.49 -155.23 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -118.89 131.94 56.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -150.87 -60.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.53 -87.12 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -127.46 98.11 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 79.46 169.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 12.2 t80 -100.34 154.39 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.7 136.79 26.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.21 164.69 36.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -64.3 140.41 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD11 ' CH2' ' A' ' 102' ' ' TRP . 10.5 mt -151.22 119.14 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 30.9 m-85 -85.76 166.54 16.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -137.43 141.2 41.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.3 tttm -81.78 137.1 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.83 -123.55 5.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 68.95 176.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.44 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttt -37.63 -43.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 160.12 0.86 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.0 m0 -52.72 116.0 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.046 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 144.2 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -109.19 122.68 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -132.54 162.11 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -86.42 117.48 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -100.11 170.8 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -142.93 120.69 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.85 85.12 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -65.95 146.56 54.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -41.66 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.0 p -51.35 -44.35 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.8 mttm -115.56 8.46 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.9 p-80 40.4 78.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.646 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -147.85 172.1 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -120.14 105.85 11.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -102.94 119.68 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 31.1 p90 -128.79 146.58 50.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -134.91 169.01 18.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.2 -43.97 79.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' MET . 29.0 m170 -135.01 174.05 11.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.565 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -41.8 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER 80.65 -69.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.1 t70 63.86 12.34 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ASP . 8.7 t 38.47 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.3 mt-10 -157.97 109.31 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.6 p -94.88 142.94 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 108.349 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 4.2 mmtt -119.96 90.93 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.38 132.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.16 167.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' HB ' ' CB ' ' A' ' 38' ' ' LEU . 2.2 mt -123.73 98.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.19 114.88 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.34 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.93 -24.85 20.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 84' ' ' THR . 69.8 t -59.68 129.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 73.0 mm-40 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 165.45 177.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.99 157.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.42 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 110.15 3.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.98 -170.35 45.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -118.07 161.36 35.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.03 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.1 p -90.76 -172.98 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.56 125.72 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.27 -45.09 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.51 166.35 0.12 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -100.17 -51.76 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -43.21 -45.28 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 HG13 ' CE2' ' A' ' 79' ' ' PHE . 61.4 t -61.93 152.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.32 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.5 pt-20 -75.23 -30.22 60.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -89.22 46.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -143.42 -47.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 96.5 m-85 -53.08 134.65 38.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -147.36 130.52 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -88.46 140.78 29.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.22 104.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -82.07 125.69 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.476 ' CG2' HG21 ' A' ' 58' ' ' VAL . 1.8 p -130.44 -172.22 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 p -79.84 -38.19 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.33 -74.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -154.22 168.26 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -80.58 138.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 53' ' ' ILE . 20.4 m-85 -113.62 163.62 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 12.9 m120 -129.47 98.8 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -118.8 159.56 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 79' ' ' PHE . 19.2 p -160.76 150.55 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.1 174.93 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 9.75 25.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 160.21 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -74.31 -48.05 5.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -15.75 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -80.82 -35.98 32.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -66.89 -51.6 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -47.1 -42.15 18.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.12 -36.07 82.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 41.6 m95 -65.93 -62.64 1.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.7 t -46.06 -60.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 26.7 t0 -43.21 -52.85 5.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 13.0 mtt-85 -53.08 -67.26 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.2 mt -48.81 -43.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.407 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.44 -24.84 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -73.27 -5.86 42.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.053 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.78 68.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 56.5 mt -89.06 -106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 157.73 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 m 59.01 169.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.3 178.85 16.42 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.61 4.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.7 p -112.99 171.48 7.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.77 123.04 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.35 112.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 0.797 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 m -110.16 143.88 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.05 -67.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.95 112.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -123.9 126.52 46.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.05 -24.22 10.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -144.41 -173.99 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -169.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 33.2 t80 -99.3 151.46 21.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -142.43 161.36 38.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.49 157.26 9.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG2' ' HG3' ' A' ' 94' ' ' GLN . 1.9 mm -59.49 140.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 102' ' ' TRP . 10.2 mt -151.06 119.1 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 26.0 m-85 -83.39 166.9 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -145.53 131.61 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.3 tttm -90.68 154.8 19.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.21 -60.42 0.28 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.56 168.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.2 m-85 -56.6 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 70.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . 3.2 mttt -137.29 177.73 2.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 22' ' ' LYS . 18.2 Cg_endo -75.02 125.57 9.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 2.7 m0 -55.79 136.16 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -82.23 127.69 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB1' ' CE2' ' A' ' 15' ' ' TYR . . . -79.96 121.7 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.73 157.63 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CG ' ' HG2' ' A' ' 44' ' ' ARG . 56.5 t-105 -87.07 113.91 23.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -104.51 166.91 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 41.4 t -135.24 126.52 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -100.08 85.18 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -66.19 160.39 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -42.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 p -50.25 -38.39 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.9 mttt -124.51 10.07 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.5 p-80 38.96 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -144.13 168.35 20.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.04 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.6 mtt-85 -100.93 120.01 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 29.4 p90 -128.67 154.45 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -142.1 168.83 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.81 154.37 29.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.602 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' HG2' ' CG ' ' A' ' 28' ' ' TRP . 37.4 mtm180 -54.1 -46.82 72.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -95.37 46.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -76.54 148.93 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -49.49 -57.19 7.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.2 159.95 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 28.5 p -63.61 160.02 17.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 4.3 mmmt -120.16 91.25 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.5 120.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.53 147.63 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mt -101.06 99.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.37 103.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.28 -24.37 42.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.5 65.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -87.41 -26.86 23.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 84' ' ' THR . 55.7 t -54.89 128.4 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 49.9 mt-10 -85.46 -33.44 21.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . 163.03 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.17 156.27 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.27 144.41 23.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -145.45 1.53 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -140.33 166.83 20.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.401 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.3 Cg_endo -74.98 98.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -83.25 -179.73 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.51 129.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.0 -43.42 1.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB1' ' CE1' ' A' ' 79' ' ' PHE . . . -44.76 159.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.89 28.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -66.69 -44.46 81.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -43.13 -59.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG11 ' CE2' ' A' ' 79' ' ' PHE . 96.7 t -53.43 154.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.487 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.2 t0 -105.34 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.8 pt-20 -82.0 -32.04 30.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -86.45 49.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -145.13 -62.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 98.4 m-85 -43.05 119.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 91' ' ' PHE . 30.1 p90 -129.14 128.81 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.45 130.76 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.7 t -105.94 111.85 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -89.75 125.89 35.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.469 ' CG2' HG21 ' A' ' 58' ' ' VAL . 1.6 p -131.58 -170.02 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.1 p -82.77 -45.87 13.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -58.12 -67.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -161.65 168.16 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.21 140.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -117.12 163.25 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.13 85.48 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 20.8 m-85 -101.42 159.62 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 14.4 p -159.59 152.98 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -92.51 35.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 176.88 163.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -76.18 -46.47 3.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -16.47 20.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 m -82.08 -35.68 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.8 -54.54 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.81 -43.09 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.94 -39.33 89.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.4 m95 -63.54 -60.94 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.059 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.27 -58.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -56.75 4.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -50.02 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.19 -53.88 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 1.3 mm-40 -56.08 -23.33 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -7.92 56.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.956 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 70.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 107' ' ' GLN . 82.2 mt -93.17 -108.6 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 p -73.61 114.93 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.2 -62.76 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.43 167.52 17.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m 53.44 102.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.62 126.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.684 ' CD2' ' CD ' ' A' ' 105' ' ' ARG . 11.7 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.476 0.179 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.76 132.38 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.01 171.57 41.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -67.38 140.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD11 ' CE3' ' A' ' 102' ' ' TRP . 7.7 mt -151.39 119.08 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.91 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 52.2 m-85 -89.64 167.56 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -139.11 138.48 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.8 m0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 128.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.91 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -87.98 120.94 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 165.18 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -98.89 105.93 18.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.9 m-30 -90.88 166.78 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' ARG . 10.1 t -137.48 110.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -88.59 83.77 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -78.35 118.28 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -88.16 -25.34 23.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -79.18 -34.32 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 2.5 mmtp -100.27 -13.79 18.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 29.0 p80 50.02 51.09 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -139.55 164.38 30.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -112.52 106.85 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.8 mtm180 -110.75 120.35 42.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 52.8 p90 -125.01 130.06 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.1 m-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.24 97.24 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -60.04 103.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 69.0 mt -53.55 -25.85 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -10.11 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.24 18.46 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.6 t -98.39 124.95 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.5 mt-10 -77.78 -33.2 52.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.12 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.64 157.6 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.98 144.74 20.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -75.02 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.85 -173.11 49.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -111.5 159.29 33.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 0.799 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.96 121.75 6.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.9 p -102.97 -169.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -74.59 136.86 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.77 -39.2 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.74 166.48 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.99 150.71 38.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -93.81 24.62 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -101.2 -68.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 75' ' ' ASP . 7.5 p -59.22 166.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' N ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -103.42 -171.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.26 -31.35 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -82.72 52.59 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -151.26 -52.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 56.5 m-85 -47.94 131.75 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.18 127.29 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -87.04 143.3 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.1 t -114.51 119.26 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 130.64 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.784 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -136.33 -178.94 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.4 p -70.21 -43.13 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -61.42 -68.0 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -163.77 178.53 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.247 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.84 145.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -124.15 141.82 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -108.78 117.4 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -135.61 159.87 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 26.3 p -163.95 143.11 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -176.59 4.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.57 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.8 t0 174.56 150.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.699 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.3 t -60.93 -46.63 96.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.99 -59.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -39.53 -29.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' PRO . . . -75.09 -53.45 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' PRO . 29.3 mm-40 -47.02 -39.81 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.05 -36.01 82.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 22.7 m95 -63.3 -45.63 90.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.03 -64.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.83 -41.79 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.684 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 9.6 mtt-85 -61.0 -60.25 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.73 -43.66 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.33 -26.02 67.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -73.36 -7.2 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.476 0.179 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 19.0 pm0 -141.4 154.2 45.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.02 157.85 14.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -61.37 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 102' ' ' TRP . 9.8 mt -151.17 119.09 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.818 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 28.1 m-85 -86.69 128.02 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -113.75 108.05 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 9.6 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.5 108.83 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -86.03 114.5 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.73 156.43 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.61 131.08 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.662 ' CD2' HD21 ' A' ' 38' ' ' LEU . 2.8 m-30 -114.03 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' ARG . 60.0 t -138.44 127.69 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -101.46 85.16 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 1.8 t0 -67.25 146.03 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -121.0 -41.86 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -51.2 -43.61 61.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' ND1' ' A' ' 36' ' ' HIS . 7.6 mttp -117.29 7.83 12.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.9 p80 40.38 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.5 mt-30 -152.61 169.55 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.27 104.11 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 37.9 mtt180 -107.76 126.57 52.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 40' ' ' TYR . 6.3 p90 -132.32 145.3 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.584 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -135.53 100.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 55.6 t0 -58.32 100.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 37' ' ' GLN . 95.7 mt -53.07 -25.67 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -69.42 -24.15 63.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -80.6 -14.16 58.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 84' ' ' THR . 72.6 t -71.93 127.27 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -89.64 -29.43 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.62 163.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.9 157.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.55 143.97 23.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.96 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.789 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.95 -168.67 22.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.574 1.172 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -119.95 160.7 41.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.0 p -86.14 -179.17 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.28 128.12 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 97.71 24.71 11.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -97.25 162.24 23.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.93 127.13 10.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 56.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -140.1 -58.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 79' ' ' PHE . 11.0 p -75.72 158.27 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.67 -178.69 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -74.58 -30.51 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 96' ' ' VAL . 10.9 mtmm -82.35 52.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.714 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -153.84 -46.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 87.4 m-85 -54.21 131.27 41.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -140.8 130.84 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.67 132.65 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.444 HG12 HG23 ' A' ' 84' ' ' THR . 25.4 t -104.19 112.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.762 ' HG2' HG22 ' A' ' 88' ' ' VAL . 52.3 mttt -90.49 124.36 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.829 HG22 HG22 ' A' ' 58' ' ' VAL . 21.6 p -128.76 -172.16 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 p -73.51 -58.48 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -68.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 84' ' ' THR . 6.5 ptt180 -163.22 173.62 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.762 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.9 t -80.6 144.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 23.6 m-85 -115.84 164.91 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 32.9 m120 -126.62 99.99 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 66.0 m-85 -119.69 157.65 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.34 137.6 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -165.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.01 -17.44 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.1 t0 -129.04 161.28 30.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -71.07 -46.7 14.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.97 19.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -78.99 -37.55 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.714 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.43 -51.44 56.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -46.84 -42.06 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 105' ' ' ARG . 31.9 mt-30 -63.89 -34.42 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 51.7 m95 -68.43 -59.25 3.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.8 t -45.4 -58.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.2 t0 -48.47 -58.62 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 101' ' ' GLN . 18.2 mtt85 -44.36 -60.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.67 -53.75 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -56.49 -17.63 8.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -79.81 -6.55 57.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CG ' ' NE ' ' A' ' 105' ' ' ARG . 5.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -166.61 133.46 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.19 164.94 38.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.95 142.61 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 102' ' ' TRP . 8.8 mt -151.33 119.08 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.919 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 11.3 m-85 -83.82 146.92 27.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -122.15 129.54 52.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.1 tttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.0 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.67 136.9 41.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.38 126.64 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 170.58 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 76.9 t-105 -96.94 115.04 26.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -103.42 170.45 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 t -140.04 137.46 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -115.21 84.43 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 34' ' ' THR . 28.5 t0 -74.24 140.22 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -108.74 -26.34 10.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 48.3 p -77.1 -32.83 56.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -29.46 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 109' ' ' CYS . 0.1 OUTLIER 66.62 55.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.557 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -141.38 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.698 HD22 HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -107.3 111.21 23.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.6 mtt180 -112.09 124.59 52.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 40.3 p90 -127.63 130.87 49.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 10.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.698 HD12 HD22 ' A' ' 38' ' ' LEU . 1.4 mt -137.0 98.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -54.04 120.37 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 38' ' ' LEU . 87.3 mt -75.58 -32.57 60.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -15.09 62.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -91.05 -26.53 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 84' ' ' THR . 20.8 t -52.56 117.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.2 mt-10 -74.04 -30.74 62.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.46 165.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -128.29 157.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.47 20.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.04 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.65 179.43 33.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -110.65 155.7 41.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.378 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.96 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 p -95.39 -168.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.75 132.25 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.9 -50.04 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.67 156.47 1.18 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.9 22.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -46.83 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -38.59 -53.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 79' ' ' PHE . 91.6 t -58.61 146.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 150.38 24.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 pt-20 -54.25 -25.99 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -77.49 0.22 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -119.51 28.89 7.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 14.3 m-85 -129.6 116.79 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -134.65 130.65 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -88.52 140.64 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.38 108.61 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 88' ' ' VAL . 49.0 mttt -89.73 122.88 33.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -125.44 -173.14 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -77.71 -31.24 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -74.81 -75.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 7.8 ptt180 -149.37 176.57 10.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -88.66 135.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -113.02 140.81 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.61 101.91 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.4 167.69 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 1.6 p -169.47 133.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -75.81 -178.24 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.77 -23.87 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -123.56 171.57 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -76.01 -48.72 3.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.93 -18.27 19.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -75.04 -38.13 61.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.99 -53.57 25.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -44.97 -45.09 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.11 -42.38 94.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 43.6 m95 -58.95 -58.75 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.83 -59.31 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -44.91 -56.35 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.601 ' NE ' ' CG ' ' A' ' 10' ' ' TYR . 1.9 mtt85 -49.57 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.4 mt -50.79 -56.04 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -53.19 -30.16 36.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' ASP . 8.0 t -76.97 -5.48 48.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 39.4 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.47 0.176 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.89 158.95 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.31 156.2 10.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.95 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 102' ' ' TRP . 7.6 mt -148.69 118.8 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.764 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.1 m-85 -84.47 156.82 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 163.31 21.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.607 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 5.4 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 13.8 m0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 2.2 mmtm -100.47 144.36 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -110.95 125.06 53.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 162.32 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.22 120.67 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -108.32 167.91 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 93.2 t -134.11 135.04 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -107.71 84.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.57 143.66 46.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -120.26 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 50.5 p -52.42 -42.5 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -117.04 6.19 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.72 88.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -156.61 168.09 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.37 106.25 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 36.3 mtt180 -110.75 123.8 50.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -124.98 137.19 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -125.44 103.28 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -64.84 113.09 3.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 38' ' ' LEU . 50.6 mt -65.18 -30.72 71.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -13.74 58.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' THR . 14.1 mm-40 -94.07 -21.2 19.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' THR . 56.8 t -60.55 129.07 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.646 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.9 mt-10 -86.79 -32.9 20.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.94 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -134.06 157.67 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.45 144.59 21.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.01 119.78 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' PHE . . . -99.12 -177.74 31.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 p -109.57 159.77 30.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.95 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 p -77.03 -173.28 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.45 136.99 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.64 -39.47 2.82 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -50.11 165.99 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.5 Cg_endo -74.97 143.96 29.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -88.28 47.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -136.71 -51.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 94' ' ' GLN . 58.7 t -66.99 143.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -174.53 4.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.59 -24.29 27.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -91.31 51.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.78 -50.98 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 86.8 m-85 -51.08 125.3 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -137.17 128.98 28.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.1 133.42 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 71.1 t -105.05 115.21 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.466 ' HG2' HG22 ' A' ' 88' ' ' VAL . 36.6 mttt -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -130.47 164.22 25.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 57' ' ' GLU . 39.1 p -57.64 -52.91 63.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 84' ' ' THR . 23.4 ptt180 -166.06 164.2 18.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.7 t -73.88 141.03 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -115.5 165.6 12.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 28.9 m120 -127.06 103.41 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -126.2 157.55 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.557 ' O ' HD23 ' A' ' 14' ' ' LEU . 21.4 p -164.52 145.21 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -84.6 -176.53 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -92.15 -17.8 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -129.74 170.59 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.4 t -74.34 -46.86 5.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -20.64 16.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -73.62 -38.55 65.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -67.58 -52.64 36.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -45.42 -44.63 12.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -57.55 -39.55 76.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.669 ' CD2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -65.02 -60.24 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 108.051 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.4 t -43.72 -61.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.1 t70 -44.63 -63.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 31' ' ' LEU . 5.6 mpt_? -40.51 -67.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.68 -53.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -53.52 -24.67 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ASP . 5.0 t -75.29 -8.69 57.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.499 0.19 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.54 143.44 49.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.79 149.9 10.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -49.97 138.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.4 mt -150.99 118.76 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.836 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 36.1 m-85 -82.51 157.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 26.6 ttpt -142.16 107.08 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.6 tttm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -68.54 125.38 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.836 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.62 125.36 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -135.48 160.38 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -84.76 125.21 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 107.969 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -110.01 169.63 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 66.2 t -138.35 125.84 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -103.47 85.08 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.17 158.26 36.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -125.58 -43.4 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -47.67 -45.54 28.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' C ' ' CG ' ' A' ' 36' ' ' HIS . 22.6 mttt -117.42 0.52 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' C ' HD12 ' A' ' 55' ' ' LEU . 10.6 p80 45.23 88.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' N ' HD12 ' A' ' 55' ' ' LEU . 91.5 mt-30 -151.51 163.83 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.58 106.93 15.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HG2' HG22 ' A' ' 52' ' ' VAL . 8.8 mtp180 -113.89 123.5 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.1 p90 -123.8 135.33 53.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 39' ' ' ARG . 14.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -122.4 102.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.648 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 51.3 t0 -60.42 105.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HA ' HG23 ' A' ' 58' ' ' VAL . 93.3 mt -58.77 -28.07 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.648 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -67.69 -23.02 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 85' ' ' THR . 94.7 mt-10 -82.62 -14.57 54.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.752 HG22 ' CG2' ' A' ' 84' ' ' THR . 98.4 t -65.84 140.61 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.6 mt-10 -104.21 -31.17 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.233 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.05 164.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -131.67 157.78 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -145.28 143.85 21.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.05 -174.03 46.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -113.94 159.44 36.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.6 p -106.18 -167.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.8 133.77 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.77 -36.44 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.45 158.69 3.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HG2' HG12 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -102.54 -40.8 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -39.05 -65.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.606 HG21 ' O ' ' A' ' 93' ' ' ALA . 12.6 p -64.06 150.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.31 -164.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.88 -28.62 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 96' ' ' VAL . 20.2 mtpp -85.7 48.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -146.97 -47.19 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 73.7 m-85 -52.23 128.76 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -142.28 131.04 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -90.18 131.72 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.1 t -104.21 112.45 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.744 ' HG2' HG22 ' A' ' 88' ' ' VAL . 50.6 mttt -90.14 126.12 35.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.752 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 p -132.46 160.2 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 57' ' ' GLU . 73.2 p -50.28 -46.56 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.79 -72.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -155.76 -169.92 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.744 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -102.1 147.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -122.32 161.59 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.62 79.66 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.95 162.01 13.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.3 p -165.96 140.3 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.606 ' O ' HG21 ' A' ' 74' ' ' VAL . . . -84.3 -175.85 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -15.38 20.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.47 159.99 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -73.12 -47.49 7.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.9 m -82.29 -35.28 28.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -66.81 -51.02 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -47.31 -37.14 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 105' ' ' ARG . 23.1 mt-30 -66.8 -34.81 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 57.4 m95 -68.04 -54.22 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.37 -62.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' SER . 14.2 t70 -43.07 -60.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 101' ' ' GLN . 5.1 mpt_? -42.69 -70.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.87 -47.85 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -23.39 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -76.35 -7.05 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.492 0.187 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -120.45 141.61 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.24 166.55 37.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.1 mm -67.42 138.87 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' CD2' ' A' ' 102' ' ' TRP . 12.4 mt -151.09 119.14 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.997 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -82.32 164.56 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -148.25 130.79 15.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.1 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.4 m0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -68.89 133.6 48.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.997 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -98.62 122.35 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -132.01 162.35 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -81.43 127.51 32.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.039 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.739 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -109.85 171.4 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.6 138.45 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -114.2 84.69 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 35.2 t0 -75.86 141.42 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -109.19 -35.66 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 49.6 p -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 4.3 mmtt -104.68 -12.4 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 27.9 p80 49.95 58.33 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -138.86 164.7 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.739 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.38 109.32 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.67 121.52 44.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -127.93 148.8 50.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.561 HD12 HD22 ' A' ' 38' ' ' LEU . 3.0 mt -106.76 96.29 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.68 106.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 38' ' ' LEU . 19.9 mt -60.11 -16.41 31.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.94 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.05 -25.47 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' CG2' ' A' ' 84' ' ' THR . 43.1 t -55.22 124.2 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.67 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.4 mm-40 -80.44 -31.36 37.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.38 160.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -123.39 156.02 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.58 144.43 22.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 89.32 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.557 1.82 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 -174.04 41.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -115.29 160.23 35.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.99 136.85 20.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -114.29 -179.13 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.6 114.3 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.42 -38.79 1.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.53 165.05 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.1 Cg_endo -74.99 140.66 25.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -82.89 52.21 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -141.8 -50.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 75' ' ' ASP . 50.1 t -62.97 164.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -115.03 149.92 36.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -52.73 -20.2 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -91.28 31.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -151.63 22.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 27.4 m-85 -119.38 107.97 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.42 ' CD2' HG23 ' A' ' 82' ' ' VAL . 30.6 p90 -121.2 130.11 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.57 116.66 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG23 ' CD2' ' A' ' 80' ' ' PHE . 41.9 t -90.78 106.61 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -81.24 129.35 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.761 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -136.22 173.21 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 p -65.56 -51.84 56.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -162.77 -170.24 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.22 132.86 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 19.1 m-85 -105.95 150.13 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.76 81.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 39.5 m-85 -98.95 158.44 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.8 p -164.3 139.88 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -81.74 174.56 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.0 -18.09 31.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -129.68 163.44 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -70.46 -47.42 18.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 -18.43 18.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 m -76.59 -36.2 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.68 -53.39 28.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -44.69 -43.19 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -61.74 -46.46 89.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.766 ' CD2' HD11 ' A' ' 14' ' ' LEU . 63.0 m95 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 63.9 t -44.77 -65.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 32.5 t0 -39.74 -59.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.61 -69.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 55' ' ' LEU . 12.9 mt -48.22 -55.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -32.6 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 4.4 t -64.43 -11.81 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 13.3 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.524 0.202 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -168.85 136.95 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.82 167.21 39.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.04 140.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 7.4 mt -150.96 118.98 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.3 m-85 -86.67 159.08 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 7.7 ttmt -136.53 140.38 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 20.9 tttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -83.57 136.85 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -81.57 134.2 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.61 161.3 37.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -94.83 115.59 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.898 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -100.53 167.64 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.4 t -140.86 116.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -95.16 84.38 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.59 131.24 37.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -30.21 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -72.23 -36.4 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' ND1' ' A' ' 36' ' ' HIS . 12.1 mmtt -105.18 -6.9 19.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 35' ' ' LYS . 11.8 p80 45.09 67.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.3 pt20 -152.12 155.23 37.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.898 HD21 ' CD2' ' A' ' 29' ' ' PHE . 3.8 tt -108.2 99.57 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' VAL . 11.0 mtm180 -100.32 127.45 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -122.95 139.69 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 20.3 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.693 HD12 HD22 ' A' ' 38' ' ' LEU . 1.6 mt -123.04 105.06 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.623 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 63.3 t0 -62.24 104.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 37' ' ' GLN . 31.2 mt -62.78 -22.01 66.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.623 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -72.84 -6.2 43.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 85' ' ' THR . 31.0 mt-10 -101.91 -12.27 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' A' ' 84' ' ' THR . 49.8 t -64.98 123.4 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 47.2 mt-10 -81.95 -29.53 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.35 162.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -127.77 155.5 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.02 143.7 29.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.55 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.89 -172.68 47.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.11 161.4 33.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.2 p -112.09 -175.73 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.63 135.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.95 -40.38 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HA ' ' CD1' ' A' ' 24' ' ' TRP . . . -43.25 160.79 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.62 19.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' HG23 ' A' ' 73' ' ' THR . 0.1 OUTLIER -82.7 65.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 72' ' ' LYS . 34.7 p -151.18 -60.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 4.5 p -66.28 153.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.0 -167.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.06 -28.88 22.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -84.24 50.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.54 -46.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 76.6 m-85 -55.34 124.95 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -137.67 128.52 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.68 134.04 34.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.14 109.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG3' HG22 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -84.75 120.36 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.636 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -124.39 -174.58 3.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 57' ' ' GLU . 18.8 p -78.83 -48.15 15.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 84' ' ' THR . 13.8 ptp180 -158.94 169.49 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HG3' ' A' ' 83' ' ' LYS . 3.1 t -78.12 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.83 153.48 32.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -116.68 97.63 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 21.6 m-85 -117.48 159.83 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.7 137.41 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -77.15 -168.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -25.1 14.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -126.5 176.09 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -78.38 -49.08 1.84 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 -30.46 60.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -74.44 -48.15 29.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.56 -36.97 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.38 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.617 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 50.7 m95 -71.4 -50.5 31.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.4 t -50.02 -61.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -50.1 9.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.66 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.55 -50.05 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -54.4 -25.91 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -75.99 -6.52 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 27.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.459 0.171 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.29 131.93 16.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -170.99 170.23 43.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.644 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.4 mm -68.95 139.38 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 102' ' ' TRP . 14.3 mt -151.37 119.56 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 9.4 m-85 -84.66 156.82 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -131.61 122.13 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tttm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLY . 16.8 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -79.35 117.45 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.45 114.47 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -141.43 164.01 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.0 t-105 -81.76 121.64 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -103.3 169.38 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 92.4 t -139.83 134.84 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -104.65 85.04 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 1.1 t70 -73.6 136.66 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -39.53 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -54.92 -41.38 70.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -107.46 -18.19 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.7 OUTLIER 65.14 73.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.578 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -151.48 168.42 24.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.685 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 83.8 mtt180 -104.26 127.29 51.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -128.06 140.38 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 6.8 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 HD22 ' A' ' 38' ' ' LEU . 1.1 mt -139.41 98.48 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.26 116.21 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 HD22 ' A' ' 31' ' ' LEU . 57.9 mt -68.4 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -15.94 58.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 85' ' ' THR . 65.7 mt-10 -88.43 -26.45 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.777 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.1 t -61.75 128.52 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.0 mt-10 -90.15 -31.73 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.08 177.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -140.17 157.67 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.31 144.42 21.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.97 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.56 -167.26 41.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 p -123.17 158.19 58.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.0 135.17 18.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 p -127.55 -153.48 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.96 159.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 39.75 54.22 2.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.922 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -83.49 -174.53 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.922 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.97 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' C ' ' CG2' ' A' ' 73' ' ' THR . 5.1 mmtt -73.24 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 72' ' ' LYS . 5.5 p -152.86 76.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 78' ' ' ALA . 70.8 t -106.22 149.65 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.57 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -81.25 123.75 28.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 5.5 pt-20 -36.7 -34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.2 mtpt -62.29 -55.9 23.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -40.0 -61.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 86.0 m-85 -33.72 138.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 40.3 p90 -159.44 124.82 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -84.53 131.53 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.4 t -104.57 104.72 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HG2' HG22 ' A' ' 88' ' ' VAL . 17.9 mttt -77.0 127.35 32.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.777 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -130.75 -173.88 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLU . 21.3 p -79.79 -41.35 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -64.67 -70.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 84' ' ' THR . 34.2 ptt-85 -158.29 161.84 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.471 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -70.38 138.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -111.07 165.37 11.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.13 89.46 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 23.0 m-85 -109.33 158.06 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.662 ' O ' HD23 ' A' ' 14' ' ' LEU . 13.8 p -156.85 155.17 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -99.67 170.34 8.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.644 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -84.31 -0.27 51.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.85 166.34 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -75.5 -47.4 4.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -17.38 19.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 m -78.3 -39.98 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -68.27 -51.22 47.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -46.26 -43.9 16.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.73 -42.02 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.714 ' CD2' HD11 ' A' ' 14' ' ' LEU . 47.9 m95 -59.62 -57.59 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.1 -61.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -55.15 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 108' ' ' SER . 9.1 mtt-85 -53.62 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.95 -49.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.0 -29.73 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -82.75 -5.65 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 3.4 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 21.2 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.472 0.177 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 pm0 -146.57 163.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.62 151.45 6.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.9 mm -57.96 144.12 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.605 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.2 mt -151.2 119.03 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 6.6 m-85 -81.95 167.33 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -145.3 120.34 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.7 tttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.5 m0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 20.7 tptm -83.85 149.84 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 25' ' ' LYS . . . -106.29 120.12 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -121.42 162.32 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.8 t-105 -96.42 104.77 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.973 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -89.57 170.86 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ARG . 14.8 t -145.16 114.23 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -89.92 83.79 6.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -80.16 128.2 33.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -96.71 -36.1 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.9 p -70.65 -30.31 66.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.78 -30.62 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.92 39.84 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.637 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -136.79 163.42 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.973 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.5 103.23 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 4.2 mtt180 -100.59 122.54 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 34.7 p90 -130.4 144.59 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.7 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' A' ' 39' ' ' ARG . 2.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -136.61 101.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.96 120.86 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.24 -26.95 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.79 -8.62 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 85' ' ' THR . 68.0 mt-10 -98.58 -23.34 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.3 t -58.3 128.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 56.5 mt-10 -90.33 -31.12 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.97 175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.27 157.64 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -144.82 144.25 23.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.97 120.91 6.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.81 -173.67 27.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -113.32 160.85 29.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.99 115.56 4.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.9 p -98.04 -174.49 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.432 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.81 136.23 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.61 -40.02 2.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.594 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -47.83 165.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.95 175.69 10.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -102.3 -46.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.504 HG11 ' SG ' ' A' ' 92' ' ' CYS . 94.6 t -61.87 154.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -160.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.31 -30.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 96' ' ' VAL . 24.0 mtpp -84.61 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.73 -47.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.594 ' HZ ' ' HB1' ' A' ' 70' ' ' ALA . 52.3 m-85 -49.47 127.53 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -145.16 130.34 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.53 135.45 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' A' ' 91' ' ' PHE . 47.9 t -105.38 115.06 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 88' ' ' VAL . 57.0 mttt -92.69 134.98 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.533 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.2 p -138.2 -170.92 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -79.48 -41.31 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -72.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 9.7 ptt180 -154.59 175.86 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 83' ' ' LYS . 3.2 t -83.99 144.53 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.07 161.93 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -130.75 93.09 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.428 ' HD2' HG21 ' A' ' 82' ' ' VAL . 18.7 m-85 -104.47 167.01 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.6 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -152.95 160.19 43.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.97 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.49 34.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.19 164.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.05 -46.26 3.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 -17.11 19.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 m -78.48 -35.32 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.933 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -69.34 -53.1 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -46.32 -45.97 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.19 -35.96 80.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CD2' HD11 ' A' ' 14' ' ' LEU . 22.7 m95 -66.53 -51.84 52.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.42 -56.21 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -45.21 -46.52 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -61.39 -61.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.42 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 13.7 mt -51.44 -50.46 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -59.35 -14.85 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 t -96.97 -5.17 38.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 106' ' ' ILE . 1.8 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -155.7 152.58 28.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.21 165.48 33.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.472 HG21 ' HG3' ' A' ' 94' ' ' GLN . 2.6 mm -66.41 140.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 92' ' ' CYS . 12.1 mt -151.24 119.12 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.854 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 m-85 -85.68 148.75 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.88 119.34 30.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.563 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 17.9 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.4 m0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -76.73 128.88 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -93.56 123.52 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.68 162.75 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -88.55 120.04 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.668 ' CD2' HD21 ' A' ' 38' ' ' LEU . 4.0 m-30 -104.67 170.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 75.0 t -135.05 146.64 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.18 84.65 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -70.11 148.54 48.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 2.4 ptpt -122.59 -41.41 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 34' ' ' THR . 54.2 p -51.64 -44.28 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 17.5 mttt -115.65 0.17 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.6 p80 47.36 85.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 73.2 mt-30 -153.82 155.95 36.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 53' ' ' ILE . 2.4 tt -109.03 103.15 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -108.03 133.33 52.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.39 132.08 50.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 38' ' ' LEU . 2.0 mt -128.11 101.26 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 48.3 t0 -57.05 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 37' ' ' GLN . 36.5 mt -57.44 -21.19 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -71.44 -15.32 62.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.9 -14.34 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.625 HG22 ' CG2' ' A' ' 84' ' ' THR . 38.1 t -61.61 122.17 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -78.44 -33.1 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.18 157.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -119.33 149.92 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . . . -140.75 144.28 35.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.47 -172.52 24.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -108.03 158.24 34.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.439 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.809 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -73.96 179.23 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.48 131.66 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.8 -41.22 2.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.2 164.56 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -35.16 68.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -47.31 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 92' ' ' CYS . 62.5 t -51.26 145.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.08 155.4 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.68 -20.92 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -91.38 30.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -149.09 20.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 16.8 m-85 -117.0 110.71 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' ALA . 28.4 p90 -125.66 127.74 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.63 120.34 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.5 t -91.06 107.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HG2' HG22 ' A' ' 88' ' ' VAL . 2.0 mttm -84.86 130.31 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -132.93 -171.75 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 p -77.71 -42.64 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -160.08 -175.76 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -93.83 134.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -106.64 160.38 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.89 92.23 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -112.07 158.22 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.731 ' HB2' HG11 ' A' ' 74' ' ' VAL . 7.9 p -158.66 137.91 11.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.86 177.99 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.02 13.86 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.44 159.49 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -69.78 -47.58 23.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.03 -15.8 20.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -80.43 -30.03 37.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.66 -51.93 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -47.17 -40.1 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.452 ' O ' ' NE ' ' A' ' 105' ' ' ARG . 23.0 mt-30 -63.56 -39.63 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 48.3 m95 -64.19 -60.19 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' TRP . 75.3 t -40.39 -63.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -43.94 -65.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -39.77 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' CYS . 40.1 mt -47.69 -56.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.04 -26.09 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -79.11 -18.93 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' ILE . 86.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 108.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 1.6 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.29 122.13 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.572 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -164.34 162.19 35.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' HB ' ' NE2' ' A' ' 94' ' ' GLN . 4.0 mm -59.01 141.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 14' ' ' LEU . 8.5 mt -151.23 118.93 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 54.4 m-85 -90.39 155.48 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 1.8 ttmt -133.28 154.83 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.7 tttm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.1 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -79.05 146.78 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -108.91 126.4 53.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -140.55 159.55 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.3 t-105 -85.63 124.5 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.956 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.927 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-30 -107.4 167.51 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -140.05 124.43 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.2 92.85 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 152.15 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -42.32 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.417 ' H ' HG23 ' A' ' 34' ' ' THR . 44.3 p -50.7 -33.82 24.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' HIS . 16.6 mttt -129.9 8.78 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER 38.58 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -148.77 167.02 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -118.01 108.33 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 52' ' ' VAL . 46.7 mtt85 -108.73 119.95 41.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -130.4 147.66 52.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 HD22 ' A' ' 38' ' ' LEU . 6.1 mt -118.52 97.09 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.33 101.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 38' ' ' LEU . 19.5 mt -58.22 -19.92 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.18 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.728 ' OE1' HG21 ' A' ' 85' ' ' THR . 60.6 mm-40 -88.74 -17.68 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.566 HG22 ' CG2' ' A' ' 84' ' ' THR . 42.8 t -60.45 121.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 51.8 mt-10 -80.02 -29.64 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.47 167.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.39 157.42 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -147.54 145.09 20.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.02 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.67 -167.45 32.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.67 157.76 47.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.95 152.44 41.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.563 1.823 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -133.56 -165.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.4 mt -74.8 135.57 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.65 -46.13 1.27 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.66 156.09 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.95 28.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.26 -37.62 74.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -39.03 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.65 156.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.08 179.91 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.4 pt-20 -65.2 -36.9 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 96' ' ' VAL . 16.6 mtmt -78.39 54.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -157.98 -45.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 92' ' ' CYS . 81.8 m-85 -58.53 119.7 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -127.28 129.34 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -87.13 138.2 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.4 t -109.52 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 88' ' ' VAL . 29.6 mttt -84.89 127.16 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.566 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -128.0 -169.39 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.728 HG21 ' OE1' ' A' ' 57' ' ' GLU . 7.2 p -84.82 -47.28 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 87' ' ' ARG . 14.2 ptm180 -59.67 -47.39 85.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -170.4 -152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -122.9 141.61 42.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 53' ' ' ILE . 14.6 m-85 -118.23 146.01 44.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -115.04 98.44 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 16' ' ' LYS . 23.1 m-85 -110.59 160.09 16.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 23.5 p -162.3 141.1 9.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 108.322 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -83.28 -169.42 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' NE2' ' HB ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -95.59 -15.85 22.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.8 t0 -134.41 169.03 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.73 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -76.22 -47.43 3.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.97 -17.88 19.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 t -79.2 -34.83 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -67.73 -50.77 55.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -48.25 -44.02 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.37 -33.3 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.54 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 37.7 m95 -72.03 -62.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -45.81 -51.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -49.35 -43.18 43.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 mtt85 -65.27 -56.8 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.415 HG23 HD22 ' A' ' 55' ' ' LEU . 8.5 mt -55.22 -47.25 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -25.12 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -6.42 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 76.0 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.528 0.204 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 9.5 pt-20 -152.73 178.24 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 163.64 12.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG21 ' OE1' ' A' ' 94' ' ' GLN . 2.3 mm -68.88 139.57 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 16.3 mt -151.56 119.6 6.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.872 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m-85 -88.77 167.83 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -144.24 123.51 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 13.2 m0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 131.38 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.872 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -138.64 163.07 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -89.81 114.83 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.011 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.878 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -97.91 171.68 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.7 t -140.58 134.44 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.42 83.66 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.69 125.23 30.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.39 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 p -73.21 -36.45 66.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 11.2 mmtt -96.75 -13.78 22.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 19.9 p80 50.07 47.86 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.648 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.616 ' NE2' HG21 ' A' ' 52' ' ' VAL . 4.2 mt-30 -139.77 161.63 37.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.878 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -107.97 105.94 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.682 ' NH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -102.58 123.07 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . 10.8 p90 -134.46 144.25 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.682 HG11 ' NH2' ' A' ' 39' ' ' ARG . 15.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -129.0 99.69 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.843 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 13.0 t70 -62.01 105.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 38' ' ' LEU . 30.4 mt -57.17 -25.07 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.843 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -68.68 -12.05 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 85' ' ' THR . 14.9 mm-40 -97.82 -18.76 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 84' ' ' THR . 89.4 t -68.99 136.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.4 mt-10 -95.87 -29.73 14.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.03 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -135.32 157.56 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.91 144.55 20.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 130.99 13.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.46 -166.21 17.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 p -114.33 158.62 39.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 105.17 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -84.84 -175.59 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.67 139.51 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 -38.02 3.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -55.2 160.14 3.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 168.62 24.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -94.27 -40.86 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -40.77 -58.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 75' ' ' ASP . 9.4 p -61.12 164.55 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.522 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.4 t0 -114.2 -178.86 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -78.62 -29.96 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.626 ' HB2' HG22 ' A' ' 96' ' ' VAL . 43.2 mtpt -84.86 50.25 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -146.28 -57.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 75.5 m-85 -40.43 132.57 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -146.68 127.11 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -88.0 138.38 31.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.478 HG12 HG23 ' A' ' 84' ' ' THR . 25.6 t -109.05 115.33 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -86.71 118.68 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.843 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -127.02 176.75 7.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -69.66 -50.2 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -158.94 159.59 35.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.33 138.58 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -113.91 128.24 56.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.94 87.47 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -98.13 167.3 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.459 ' SG ' ' CE3' ' A' ' 24' ' ' TRP . 5.7 p -175.47 133.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.53 -143.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' OE1' HG21 ' A' ' 13' ' ' ILE . 14.8 pt20 -135.95 24.46 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 98' ' ' SER . 0.2 OUTLIER -156.51 159.29 38.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 77' ' ' LYS . 1.2 t -76.05 -47.1 3.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.07 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.42 ' HB2' ' CB ' ' A' ' 95' ' ' ASP . 52.6 m -43.54 -36.31 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 102' ' ' TRP . . . -69.99 -54.31 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -45.02 -38.91 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -62.63 -37.01 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 14' ' ' LEU . 79.8 m95 -64.61 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.33 -64.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' SER . 19.3 t0 -43.9 -61.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 6.6 mtt85 -44.67 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 mt -45.28 -54.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -52.23 -28.19 17.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -72.64 -17.75 61.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 22.7 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.5 0.191 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.86 150.74 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 165.01 31.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.55 143.84 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 12.5 mt -151.43 118.99 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.902 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.2 m-85 -86.72 156.15 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 5.9 tttp -123.1 165.81 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 40.2 tttm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.1 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -74.25 138.1 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.902 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -103.5 109.63 21.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -123.44 162.66 22.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 74.9 t-105 -85.73 122.7 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.4 m-30 -107.09 168.81 8.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.9 t -137.11 134.0 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.36 84.78 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 33.8 t0 -75.16 147.19 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -108.28 -37.07 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -72.4 -29.44 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 9.1 mmtt -105.94 -18.0 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 18.7 p80 48.47 53.66 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -132.82 170.28 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.12 105.46 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' OH ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -109.19 123.57 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 55.0 p90 -122.97 135.37 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.44 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 17.6 m-85 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 39' ' ' ARG . 3.1 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.638 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -136.78 99.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -57.25 104.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 38' ' ' LEU . 70.1 mt -58.92 -25.28 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -17.29 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' HB3' HG23 ' A' ' 85' ' ' THR . 70.7 mt-10 -90.27 -17.81 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.7 t -64.38 122.51 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 48.6 mt-10 -79.91 -31.62 40.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.19 161.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -124.69 155.07 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.18 144.33 31.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.19 179.75 38.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 p -104.86 156.58 35.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.417 1.746 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -82.82 -178.89 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.69 132.94 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -35.31 5.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -60.41 164.9 6.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.06 127.78 10.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -66.33 -48.33 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LYS . 29.7 p -37.3 -55.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.711 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 49.0 t -60.9 152.65 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -103.73 154.51 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 8.8 pt-20 -51.68 -28.59 15.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.759 ' HB2' HG22 ' A' ' 96' ' ' VAL . 9.7 mtpt -66.81 -9.55 38.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.711 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . . . -111.66 32.76 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 17.0 m-85 -131.62 109.28 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -136.22 128.38 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -87.12 141.89 28.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.61 110.84 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -88.11 122.26 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.685 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.45 -168.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 57' ' ' GLU . 43.0 p -83.01 -43.84 15.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -60.26 -67.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -159.3 -173.52 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.05 131.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -111.48 126.63 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -102.11 100.23 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -109.56 173.24 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' ALA . 1.1 p -172.53 133.21 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.356 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.46 -173.4 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -28.11 13.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 154.12 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.759 HG22 ' HB2' ' A' ' 77' ' ' LYS . 2.1 t -73.45 -45.55 7.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.0 -15.44 20.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 m -79.71 -34.66 39.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.84 -54.64 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -43.99 -37.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -72.34 -36.93 68.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.9 m95 -63.27 -50.73 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 -63.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.8 -42.72 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 10.1 mtt-85 -60.96 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.02 -47.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -32.88 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ASP . 28.8 t -68.72 -8.33 41.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' ' HD3' ' A' ' 105' ' ' ARG . 18.7 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.53 0.205 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -155.81 126.12 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.3 176.76 36.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.3 mm -72.77 142.03 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 92' ' ' CYS . 7.5 mt -151.62 119.5 6.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.893 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -86.48 154.36 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -125.97 128.59 47.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 7.2 ttpt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.641 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 12.4 m0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -104.94 143.39 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.34 125.17 41.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.56 159.94 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -95.41 118.42 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.722 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.8 m-30 -103.79 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -136.67 121.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.74 82.74 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -79.01 128.48 33.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -32.78 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 p -67.57 -38.66 84.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -97.86 -7.11 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.5 p80 44.4 42.66 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 54' ' ' ASP . 4.4 mt-30 -131.22 171.59 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.722 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -115.22 106.75 14.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -102.2 120.22 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -132.92 138.71 47.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -110.88 98.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -62.09 105.57 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.74 -20.13 32.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.0 65.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -91.76 -22.82 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' A' ' 84' ' ' THR . 53.2 t -58.72 127.14 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt-10 -92.65 -29.43 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.67 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -133.27 156.13 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.64 145.81 24.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.5 Cg_endo -74.95 119.52 5.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' THR . . . -110.9 97.63 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.975 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -37.16 155.42 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.975 ' HD2' HG22 ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.0 p -112.91 -168.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -76.85 117.06 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -29.8 6.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.22 165.72 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.02 131.08 13.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 10.9 mptt -64.29 -54.61 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' LYS . 31.8 p -36.75 -54.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.57 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.23 156.63 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.27 -17.86 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 96' ' ' VAL . 5.9 mtmm -92.23 29.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.49 20.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 8.2 m-85 -110.35 118.24 35.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -140.78 133.14 28.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -100.11 147.15 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 84' ' ' THR . 25.3 t -107.19 113.53 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -87.5 107.96 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.694 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -114.93 -177.07 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p -75.84 -47.56 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -56.62 -64.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -167.5 162.4 14.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.7 t -73.64 140.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -116.68 160.57 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 8.0 m120 -121.92 117.15 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 90' ' ' ASN . 22.3 m-85 -136.43 158.64 43.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.635 ' O ' HD23 ' A' ' 14' ' ' LEU . 29.9 p -161.94 143.75 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.96 178.87 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.63 22.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.23 164.08 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -75.94 -47.02 3.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.02 -16.53 20.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -79.37 -36.11 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.36 -53.64 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -45.07 -42.98 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.1 m95 -66.87 -54.72 19.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -52.82 -64.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.8 t0 -41.64 -50.3 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD3' ' CB ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -52.6 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.3 mt -51.31 -44.71 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -23.95 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -77.42 -5.77 51.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 43.5 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.539 0.209 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -151.3 -174.95 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.02 145.41 4.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -55.5 141.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.0 mt -150.66 119.04 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.006 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 63.1 m-85 -89.21 144.93 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -129.32 115.62 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 7.5 tttt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 8.7 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -128.58 108.88 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.006 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -75.85 114.07 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 162.57 31.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.5 t-105 -88.51 119.83 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.988 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.59 170.98 7.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.9 t -141.05 125.1 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.83 83.91 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -82.17 128.38 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -96.92 -29.75 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -71.27 -37.59 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -94.23 -28.18 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.5 OUTLIER 65.39 39.04 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.611 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' HG13 ' A' ' 52' ' ' VAL . 22.1 mt-30 -132.54 162.96 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -106.4 107.09 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 6.3 mtm180 -106.42 131.08 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 46.8 p90 -143.36 140.66 30.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.49 96.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.43 106.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mt -61.46 -25.75 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.91 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 85' ' ' THR . 56.7 mm-40 -87.92 -25.23 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 73.7 t -57.93 130.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.8 mt-10 -93.9 -28.11 16.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 168.13 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.42 153.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -143.82 144.54 27.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 119.06 5.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.6 -162.46 33.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.2 p -121.24 147.66 47.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 p -94.95 -172.58 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.33 119.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.31 -45.34 1.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -46.93 162.59 0.26 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 -171.92 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 74' ' ' VAL . 9.0 mttp -119.8 -40.66 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.468 HG21 ' CD ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.74 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 9.1 p -97.28 159.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.27 151.19 33.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.8 pt-20 -44.25 -36.95 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -50.08 71.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.74 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -50.64 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 67.8 m-85 -31.46 127.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -148.7 130.25 14.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -89.64 143.0 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.34 115.29 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG2' HG22 ' A' ' 88' ' ' VAL . 21.4 mttt -87.91 118.75 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -122.39 -175.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 57' ' ' GLU . 16.8 p -77.19 -35.14 56.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -70.7 -76.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 4.5 ptp180 -150.96 171.66 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -81.98 140.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.585 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 25.3 m-85 -114.51 165.33 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -127.02 96.43 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CE2' ' CB ' ' A' ' 89' ' ' TYR . 62.3 m-85 -115.11 155.21 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.544 ' O ' HD23 ' A' ' 14' ' ' LEU . 30.9 p -161.2 148.77 15.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.21 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -112.72 29.61 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.6 t0 -177.62 160.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.639 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.2 t -75.18 -44.62 4.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.05 -16.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 m -86.61 -34.3 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB2' ' HB1' ' A' ' 78' ' ' ALA . . . -71.94 -51.14 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -46.72 -38.28 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -65.75 -37.45 86.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 52.2 m95 -62.87 -55.25 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 54.5 t -52.48 -66.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -40.34 -46.96 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -59.18 -64.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 mt -51.3 -55.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -55.44 -28.57 55.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.3 t -79.93 -5.73 56.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 1.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.342 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.63 ' CD1' ' NH2' ' A' ' 105' ' ' ARG . 29.6 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' GLU . 1.1 pm0 -138.13 164.62 28.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 159.88 124.7 0.75 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mm -39.92 138.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 102' ' ' TRP . 5.0 mt -146.37 118.81 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 27.0 m-85 -84.85 166.76 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttmt -144.7 155.42 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 10.2 tttm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.1 m0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.23 136.61 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -90.79 121.03 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -121.85 158.17 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.41 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 57.8 t-105 -88.57 123.34 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.1 m-85 -111.5 165.26 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.2 t -140.31 121.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.52 83.15 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' CD ' ' A' ' 39' ' ' ARG . 28.7 m-20 -79.96 115.12 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -35.36 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 p -70.9 -34.36 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -95.51 -7.95 36.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 p80 42.85 38.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -130.3 167.08 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -113.42 104.19 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -100.7 119.79 39.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 33.8 p90 -128.43 149.23 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 3.8 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 38' ' ' LEU . 2.5 mt -117.9 100.66 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.37 111.95 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 36.9 mt -62.63 -25.84 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -10.7 46.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' THR . 24.6 mm-40 -98.42 -19.96 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 78.7 t -64.98 132.31 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.4 mt-10 -91.03 -29.58 17.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.6 168.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -132.7 146.15 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -135.53 142.9 42.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.98 125.57 9.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.7 -127.15 5.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -164.35 166.76 11.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.2 Cg_endo -75.05 91.89 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 p -73.22 -173.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -75.13 125.94 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' O ' ' NE1' ' A' ' 24' ' ' TRP . . . 98.4 27.18 8.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -96.34 169.44 8.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.99 152.68 41.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 42.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.0 p -141.52 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 93' ' ' ALA . 45.0 t -46.57 157.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -105.95 173.32 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.48 -25.16 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HB2' HG22 ' A' ' 96' ' ' VAL . 22.3 mtmt -97.46 52.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.42 -47.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 74' ' ' VAL . 91.6 m-85 -48.31 133.7 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 27.1 p90 -148.31 128.7 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.03 133.97 34.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.49 112.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -88.01 124.52 33.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.11 -174.61 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 57' ' ' GLU . 69.3 p -78.7 -50.15 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -69.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -160.81 164.67 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.77 135.71 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -107.35 157.28 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.52 97.33 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 17.6 m-85 -114.7 162.64 16.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.8 p -165.64 135.37 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -76.39 -170.72 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -18.01 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.0 m-20 -131.84 -179.89 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -77.83 -48.28 2.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -30.36 7.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 m -62.44 -30.17 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -75.47 -52.23 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -47.38 -42.57 22.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.85 -37.49 82.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.5 m95 -67.9 -42.57 80.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.16 -61.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.89 -43.14 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.63 ' NH2' ' CD1' ' A' ' 10' ' ' TYR . 26.2 mtt-85 -61.55 -70.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.98 -45.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.36 -27.32 67.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' ARG . 9.1 t -70.69 -10.78 60.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 15.9 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.532 0.206 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -159.74 139.09 11.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.474 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -174.08 171.61 44.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.33 145.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 92' ' ' CYS . 14.9 mt -151.89 119.25 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 10.6 m-85 -85.37 135.43 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -115.34 138.23 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 41.9 tttm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.2 m0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -72.6 129.67 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -91.68 123.2 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -128.85 174.35 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 76.6 t-105 -101.71 108.34 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -90.64 169.93 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 77.0 t -141.9 123.99 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.15 84.78 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -72.47 134.64 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -36.76 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 34' ' ' THR . 31.3 p -60.54 -40.57 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -106.58 -11.06 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.451 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER 57.24 75.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.573 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.486 ' HB3' HG13 ' A' ' 52' ' ' VAL . 31.6 mt-30 -155.85 172.35 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -121.7 104.76 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 93.4 mtt180 -105.17 125.05 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -126.02 142.6 51.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 4.0 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.64 HD12 HD22 ' A' ' 38' ' ' LEU . 7.2 mt -122.28 95.52 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -53.45 106.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 109' ' ' CYS . 78.9 mt -63.55 -27.26 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.16 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' HG23 ' A' ' 85' ' ' THR . 19.5 mt-10 -99.97 -21.99 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.0 t -61.41 122.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 9.8 mm-40 -84.02 -27.81 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.2 179.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.22 157.33 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -144.32 144.71 26.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.32 -173.28 15.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 p -112.57 155.96 43.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 97.44 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 p -74.67 -177.17 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 mt -67.63 139.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.92 -39.43 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -53.96 164.81 0.88 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.2 Cg_endo -75.04 129.75 12.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.48 57.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -142.09 -65.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 24.8 t -46.77 160.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -99.75 136.84 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 9.9 pt-20 -39.8 -31.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -61.55 -59.61 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -41.09 -57.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 59.1 m-85 -41.62 130.63 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -148.51 131.62 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -94.48 138.57 32.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 84' ' ' THR . 24.5 t -104.71 114.11 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -87.82 121.22 29.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.24 -168.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 57' ' ' GLU . 28.2 p -88.41 -41.64 12.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -62.46 -65.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 5.4 ptp180 -163.68 165.18 23.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.54 141.02 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 87' ' ' ARG . 24.0 m-85 -117.98 164.23 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -132.06 105.5 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.93 165.13 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.627 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.73 160.46 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -114.6 -177.57 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.38 22.75 12.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.99 162.54 2.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.612 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -74.84 -45.92 5.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -17.11 19.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -78.45 -42.43 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -64.16 -51.38 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -46.56 -44.94 18.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.53 -38.94 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.609 ' CD2' HD11 ' A' ' 14' ' ' LEU . 54.8 m95 -64.71 -59.17 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.956 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 77.3 t -52.55 -48.34 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -53.78 -57.36 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.525 ' HD3' HD12 ' A' ' 31' ' ' LEU . 3.6 mtt-85 -55.31 -46.88 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 14.1 mt -62.27 -51.95 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.5 mm-40 -58.53 -19.66 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.3 -5.54 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 9.4 t80 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.476 0.179 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.88 130.92 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -165.95 -173.78 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.441 HG21 ' HG3' ' A' ' 94' ' ' GLN . 4.6 mm -80.42 140.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' ' 102' ' ' TRP . 13.2 mt -151.87 119.33 6.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.734 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 8.1 m-85 -82.46 167.79 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.36 128.87 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 4.2 ttpt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 16.7 m0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -80.76 140.82 35.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -104.89 110.93 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 163.52 22.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 74.3 t-105 -88.83 119.46 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -102.61 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 18.8 t -138.59 126.83 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -103.45 83.93 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -76.44 142.2 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.87 -25.66 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 p -80.03 -34.13 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -99.48 -27.85 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER 64.05 48.97 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.562 ' HB3' HG13 ' A' ' 52' ' ' VAL . 61.4 mt-30 -136.46 157.55 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -105.01 106.34 16.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.7 mtp180 -109.88 127.97 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 44.5 p90 -129.94 129.14 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.452 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 6.6 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 ' HB3' ' A' ' 37' ' ' GLN . 10.8 t . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.518 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -127.29 96.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.53 96.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 36' ' ' HIS . 15.8 mt -50.32 -36.04 30.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.08 -21.67 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 85' ' ' THR . 10.5 mm-40 -86.41 -27.05 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 77.8 t -56.28 134.65 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 29.0 mt-10 -96.08 -30.97 13.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.32 176.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.28 150.59 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.42 142.72 43.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.11 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.83 -155.62 15.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -137.33 167.04 22.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 110.399 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.4 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.4 p -108.51 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -63.59 124.99 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.63 -46.13 1.21 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 158.37 0.43 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.68 9.59 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -94.06 -55.99 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' LYS . 27.8 p -37.12 -54.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.619 HG12 ' CE2' ' A' ' 79' ' ' PHE . 95.9 t -58.0 148.12 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 2.4 t0 -109.42 169.18 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -64.63 -30.64 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 96' ' ' VAL . 22.7 mtmt -89.93 56.58 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -156.8 -45.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 74' ' ' VAL . 97.0 m-85 -57.55 138.22 55.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.34 130.04 14.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.484 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -90.76 134.03 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.92 114.38 44.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' HG22 ' A' ' 88' ' ' VAL . 55.7 mttt -84.51 129.92 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -139.05 168.38 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.376 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLU . 32.0 p -61.27 -48.18 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.07 -71.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -162.38 172.12 16.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.484 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 3.8 t -79.02 147.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -122.84 164.56 18.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.8 93.38 3.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -110.75 160.99 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.427 ' O ' HD23 ' A' ' 14' ' ' LEU . 28.5 p -166.34 146.55 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' ' OG ' ' A' ' 98' ' ' SER . . . -86.21 -166.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -102.75 -6.01 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -139.82 164.43 30.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 77' ' ' LYS . 1.5 t -75.87 -46.33 3.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.86 19.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.414 ' OG ' ' HB1' ' A' ' 93' ' ' ALA . 19.0 p -80.24 -41.31 25.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -61.61 -51.31 69.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -46.72 -39.93 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -69.02 -30.54 68.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.627 ' CD2' HD11 ' A' ' 14' ' ' LEU . 30.8 m95 -71.08 -48.18 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.88 -66.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -41.07 -42.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 13.4 mtt-85 -60.94 -67.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.444 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 10.6 mt -53.06 -42.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -18.26 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -96.88 -5.27 38.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.7 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.363 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 12.2 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.471 0.176 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.7 136.79 26.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.21 164.69 36.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -64.3 140.41 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.5 mt -151.22 119.14 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.957 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 30.9 m-85 -85.76 166.54 16.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -137.43 141.2 41.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.3 tttm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.0 m0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 144.2 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -109.19 122.68 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -132.54 162.11 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -86.42 117.48 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -100.11 170.8 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -142.93 120.69 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.85 85.12 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -65.95 146.56 54.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -41.66 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 57.0 p -51.35 -44.35 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -115.56 8.46 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 5.4 p80 40.4 78.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.646 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.436 HE21 HG21 ' A' ' 52' ' ' VAL . 9.4 mt-30 -147.85 172.1 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.14 105.85 11.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -102.94 119.68 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -128.79 146.58 50.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG21 HE21 ' A' ' 37' ' ' GLN . 15.7 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.493 HD12 HD22 ' A' ' 38' ' ' LEU . 2.2 mt -123.73 98.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.19 114.88 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.34 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.93 -24.85 20.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.773 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.8 t -59.68 129.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.663 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.0 mm-40 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 165.45 177.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG21 HG22 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -139.99 157.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.42 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 110.15 3.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.98 -170.35 45.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -118.07 161.36 35.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.03 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.1 p -90.76 -172.98 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.56 125.72 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.27 -45.09 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -44.51 166.35 0.12 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -100.17 -51.76 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -43.21 -45.28 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.602 HG12 ' CE2' ' A' ' 79' ' ' PHE . 61.4 t -61.93 152.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.32 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.5 pt-20 -75.23 -30.22 60.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -89.22 46.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.584 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -143.42 -47.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CE2' HG12 ' A' ' 74' ' ' VAL . 96.5 m-85 -53.08 134.65 38.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -147.36 130.52 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -88.46 140.78 29.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.22 104.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.603 ' HG3' HG22 ' A' ' 88' ' ' VAL . 3.7 mptt -82.07 125.69 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.773 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.8 p -130.44 -172.22 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 p -79.84 -38.19 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.33 -74.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -154.22 168.26 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.603 HG22 ' HG3' ' A' ' 83' ' ' LYS . 2.4 t -80.58 138.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -113.62 163.62 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 12.9 m120 -129.47 98.8 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -118.8 159.56 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.2 p -160.76 150.55 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.1 174.93 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 9.75 25.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 160.21 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -74.31 -48.05 5.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -15.75 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -80.82 -35.98 32.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.89 -51.6 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -47.1 -42.15 18.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.12 -36.07 82.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 41.6 m95 -65.93 -62.64 1.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.495 HG22 HG21 ' A' ' 61' ' ' VAL . 74.7 t -46.06 -60.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 26.7 t0 -43.21 -52.85 5.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 13.0 mtt-85 -53.08 -67.26 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.2 mt -48.81 -43.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.44 -24.84 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -73.27 -5.86 42.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.053 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 33.2 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.482 0.182 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -142.43 161.36 38.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.49 157.26 9.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' A' ' 94' ' ' GLN . 1.9 mm -59.49 140.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.2 mt -151.06 119.1 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.906 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 26.0 m-85 -83.39 166.9 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -145.53 131.61 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.3 tttm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 2.7 m0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -82.23 127.69 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.906 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . . . -79.96 121.7 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.73 157.63 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -87.07 113.91 23.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.51 166.91 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 41.4 t -135.24 126.52 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -100.08 85.18 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -66.19 160.39 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -42.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.423 ' H ' HG23 ' A' ' 34' ' ' THR . 48.3 p -50.25 -38.39 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' HIS . 9.9 mttt -124.51 10.07 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 3.9 p80 38.96 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.567 ' NE2' HG21 ' A' ' 52' ' ' VAL . 67.3 mt-30 -144.13 168.35 20.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -118.04 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.6 mtt-85 -100.93 120.01 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -128.67 154.45 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.567 HG21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 4.1 mt -101.06 99.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.37 103.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 38' ' ' LEU . 25.8 mt -56.28 -24.37 42.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.5 65.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -87.41 -26.86 23.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.708 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.7 t -54.89 128.4 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 49.9 mt-10 -85.46 -33.44 21.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.03 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -117.17 156.27 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.27 144.41 23.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -145.45 1.53 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.487 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -140.33 166.83 20.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.401 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.3 Cg_endo -74.98 98.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -83.25 -179.73 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.51 129.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.0 -43.42 1.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . . . -44.76 159.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.89 28.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -66.69 -44.46 81.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -43.13 -59.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' A' ' 79' ' ' PHE . 96.7 t -53.43 154.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.487 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.2 t0 -105.34 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.8 pt-20 -82.0 -32.04 30.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 96' ' ' VAL . 21.1 mtpp -86.45 49.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -145.13 -62.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.492 ' CE2' HG12 ' A' ' 74' ' ' VAL . 98.4 m-85 -43.05 119.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 91' ' ' PHE . 30.1 p90 -129.14 128.81 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -86.45 130.76 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.7 t -105.94 111.85 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -89.75 125.89 35.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.6 p -131.58 -170.02 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.1 p -82.77 -45.87 13.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -58.12 -67.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -161.65 168.16 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.21 140.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -117.12 163.25 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.13 85.48 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 20.8 m-85 -101.42 159.62 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.793 ' O ' HD23 ' A' ' 14' ' ' LEU . 14.4 p -159.59 152.98 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.577 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -92.51 35.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 176.88 163.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -76.18 -46.47 3.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -16.47 20.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 m -82.08 -35.68 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.8 -54.54 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.81 -43.09 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.94 -39.33 89.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.4 m95 -63.54 -60.94 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.059 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.27 -58.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -56.75 4.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -50.02 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.19 -53.88 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.08 -23.33 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -7.92 56.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.956 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.315 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 72.14 -60.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -41.5 122.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.84 158.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 54.61 174.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.84 -149.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 12.13 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 m -151.37 -166.5 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.684 ' CD2' ' CD ' ' A' ' 105' ' ' ARG . 11.7 t80 -111.38 163.14 14.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.76 132.38 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.01 171.57 41.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -67.38 140.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD11 ' CE3' ' A' ' 102' ' ' TRP . 7.7 mt -151.39 119.08 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.91 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 52.2 m-85 -89.64 167.56 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -139.11 138.48 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -44.34 146.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -82.04 -61.43 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 66.88 10.97 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.88 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -53.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -71.35 157.88 89.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.08 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.8 m0 -56.91 158.07 5.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.052 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 128.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.91 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -87.98 120.94 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 165.18 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -98.89 105.93 18.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.9 m-30 -90.88 166.78 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' ARG . 10.1 t -137.48 110.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -88.59 83.77 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -78.35 118.28 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -88.16 -25.34 23.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -79.18 -34.32 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 2.5 mmtp -100.27 -13.79 18.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 29.0 p80 50.02 51.09 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -139.55 164.38 30.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -112.52 106.85 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.8 mtm180 -110.75 120.35 42.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 52.8 p90 -125.01 130.06 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.1 m-85 -109.45 140.42 43.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.02 -40.19 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -132.3 146.07 51.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.78 109.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 tpp 69.69 72.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' THR . 8.4 t0 -95.7 165.75 12.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -37.79 -53.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 47' ' ' THR . 2.6 mt-10 -148.19 166.41 27.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 p -71.77 142.83 49.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -120.28 91.77 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.78 145.09 17.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.19 147.43 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.24 97.24 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -60.04 103.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 69.0 mt -53.55 -25.85 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -10.11 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.24 18.46 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.6 t -98.39 124.95 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.5 mt-10 -77.78 -33.2 52.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.12 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.64 157.6 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.98 144.74 20.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -75.02 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.85 -173.11 49.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -111.5 159.29 33.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 0.799 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.96 121.75 6.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.9 p -102.97 -169.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -74.59 136.86 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.77 -39.2 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.74 166.48 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.99 150.71 38.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -93.81 24.62 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -101.2 -68.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 75' ' ' ASP . 7.5 p -59.22 166.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' N ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -103.42 -171.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.26 -31.35 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -82.72 52.59 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -151.26 -52.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 56.5 m-85 -47.94 131.75 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.18 127.29 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -87.04 143.3 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.1 t -114.51 119.26 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 130.64 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.784 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -136.33 -178.94 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.4 p -70.21 -43.13 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -61.42 -68.0 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -163.77 178.53 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.247 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.84 145.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -124.15 141.82 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -108.78 117.4 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -135.61 159.87 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 26.3 p -163.95 143.11 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -176.59 4.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.57 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.8 t0 174.56 150.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.699 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.3 t -60.93 -46.63 96.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.99 -59.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -39.53 -29.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' PRO . . . -75.09 -53.45 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' PRO . 29.3 mm-40 -47.02 -39.81 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.05 -36.01 82.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 22.7 m95 -63.3 -45.63 90.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.03 -64.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.83 -41.79 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.684 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 9.6 mtt-85 -61.0 -60.25 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.73 -43.66 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' CD ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm-40 -66.33 -26.02 67.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -73.36 -7.2 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 67.97 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD11 ' CD ' ' A' ' 107' ' ' GLN . 47.9 mt -86.62 -105.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -123.84 147.32 47.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.1 m -73.13 128.18 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.48 -145.48 6.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -98.64 171.49 8.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.1 m 62.14 111.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.8 104.13 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.34 107.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.97 162.34 18.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t 176.06 -59.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' OE2' ' A' ' 11' ' ' GLU . 16.7 m -69.54 168.7 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.81 -130.51 0.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -98.36 18.55 16.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.9 -165.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.74 152.29 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 19.0 pm0 -141.4 154.2 45.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.02 157.85 14.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -61.37 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 102' ' ' TRP . 9.8 mt -151.17 119.09 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.818 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 28.1 m-85 -86.69 128.02 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -113.75 108.05 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.27 157.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.98 -54.23 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.6 165.94 32.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 22' ' ' LYS . 29.9 m-85 -60.18 146.01 44.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.0 mtp 68.89 -60.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' PHE . 22.7 mttt -43.23 161.38 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.21 14.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 9.6 m0 -96.37 148.74 22.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.5 108.83 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -86.03 114.5 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.73 156.43 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.61 131.08 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.662 ' CD2' HD21 ' A' ' 38' ' ' LEU . 2.8 m-30 -114.03 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' ARG . 60.0 t -138.44 127.69 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -101.46 85.16 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 1.8 t0 -67.25 146.03 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -121.0 -41.86 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -51.2 -43.61 61.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' O ' ' ND1' ' A' ' 36' ' ' HIS . 7.6 mttp -117.29 7.83 12.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.9 p80 40.38 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.5 mt-30 -152.61 169.55 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.27 104.11 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 37.9 mtt180 -107.76 126.57 52.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 6.3 p90 -132.32 145.3 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -136.31 169.38 17.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -15.81 57.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -119.82 147.86 44.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -47.85 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 ptm -131.64 59.18 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.39 166.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.6 t -98.62 -34.43 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -100.0 136.02 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.8 m -88.29 112.74 23.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -120.43 93.45 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 52' ' ' VAL . . . 115.07 140.23 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 51' ' ' GLY . 5.3 t -155.2 147.31 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.584 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -135.53 100.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 55.6 t0 -58.32 100.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 37' ' ' GLN . 95.7 mt -53.07 -25.67 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -69.42 -24.15 63.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -80.6 -14.16 58.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 84' ' ' THR . 72.6 t -71.93 127.27 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -89.64 -29.43 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.62 163.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.9 157.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.55 143.97 23.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.96 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.789 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.95 -168.67 22.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.574 1.172 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -119.95 160.7 41.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.0 p -86.14 -179.17 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.28 128.12 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 97.71 24.71 11.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -97.25 162.24 23.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.93 127.13 10.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 56.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -140.1 -58.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 79' ' ' PHE . 11.0 p -75.72 158.27 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.67 -178.69 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -74.58 -30.51 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 96' ' ' VAL . 10.9 mtmm -82.35 52.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.714 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -153.84 -46.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 87.4 m-85 -54.21 131.27 41.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -140.8 130.84 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.67 132.65 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.444 HG12 HG23 ' A' ' 84' ' ' THR . 25.4 t -104.19 112.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.762 ' HG2' HG22 ' A' ' 88' ' ' VAL . 52.3 mttt -90.49 124.36 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.829 HG22 HG22 ' A' ' 58' ' ' VAL . 21.6 p -128.76 -172.16 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 p -73.51 -58.48 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -68.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 84' ' ' THR . 6.5 ptt180 -163.22 173.62 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.762 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.9 t -80.6 144.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 23.6 m-85 -115.84 164.91 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 32.9 m120 -126.62 99.99 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 66.0 m-85 -119.69 157.65 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.34 137.6 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -165.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.01 -17.44 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.1 t0 -129.04 161.28 30.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -71.07 -46.7 14.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.97 19.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -78.99 -37.55 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.714 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.43 -51.44 56.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -46.84 -42.06 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 105' ' ' ARG . 31.9 mt-30 -63.89 -34.42 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 51.7 m95 -68.43 -59.25 3.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.8 t -45.4 -58.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.2 t0 -48.47 -58.62 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 101' ' ' GLN . 18.2 mtt85 -44.36 -60.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.67 -53.75 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.635 ' CD ' HD11 ' A' ' 110' ' ' LEU . 1.6 mm-40 -56.49 -17.63 8.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -79.81 -6.55 57.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.46 65.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.635 HD11 ' CD ' ' A' ' 107' ' ' GLN . 55.5 mt -84.7 -106.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.95 -53.38 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m -155.05 165.6 36.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.95 -145.78 11.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 116.71 4.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -59.72 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m 58.75 108.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -141.17 143.92 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 p -89.86 -38.83 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.22 99.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -75.66 -54.96 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -52.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.61 -127.4 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.01 130.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -118.79 -161.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CG ' ' NE ' ' A' ' 105' ' ' ARG . 5.5 t80 -106.92 166.88 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -166.61 133.46 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.19 164.94 38.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.95 142.61 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 102' ' ' TRP . 8.8 mt -151.33 119.08 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.919 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 11.3 m-85 -83.82 146.92 27.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -122.15 129.54 52.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.1 tttt -52.32 131.94 33.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.62 64.03 0.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.9 -175.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 21' ' ' MET . 5.8 m-85 -90.43 176.85 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.4 ttm 76.92 -69.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -79.68 158.99 72.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 176.41 9.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.0 m0 -83.27 155.69 23.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.054 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.67 136.9 41.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.38 126.64 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 170.58 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 76.9 t-105 -96.94 115.04 26.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -103.42 170.45 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 t -140.04 137.46 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -115.21 84.43 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 34' ' ' THR . 28.5 t0 -74.24 140.22 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -108.74 -26.34 10.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 48.3 p -77.1 -32.83 56.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -29.46 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 109' ' ' CYS . 0.1 OUTLIER 66.62 55.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.557 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -141.38 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.698 HD22 HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -107.3 111.21 23.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.6 mtt180 -112.09 124.59 52.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 40.3 p90 -127.63 130.87 49.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 49' ' ' CYS . 10.4 m-85 -106.65 139.08 41.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -44.55 -33.7 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -135.03 168.0 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.61 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -54.87 10.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.36 108.51 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -126.41 160.68 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -39.93 -62.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.635 ' H ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -141.71 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 30.1 p -70.69 145.48 50.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 3.5 mtpt -118.36 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CE1' ' A' ' 40' ' ' TYR . . . 107.23 160.6 21.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t -150.78 151.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.698 HD12 HD22 ' A' ' 38' ' ' LEU . 1.4 mt -137.0 98.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -54.04 120.37 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 38' ' ' LEU . 87.3 mt -75.58 -32.57 60.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -15.09 62.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -91.05 -26.53 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 84' ' ' THR . 20.8 t -52.56 117.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.2 mt-10 -74.04 -30.74 62.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.46 165.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -128.29 157.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.47 20.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.04 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.65 179.43 33.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -110.65 155.7 41.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.378 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.96 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 p -95.39 -168.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.75 132.25 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.9 -50.04 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.67 156.47 1.18 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.9 22.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -46.83 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -38.59 -53.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 79' ' ' PHE . 91.6 t -58.61 146.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 150.38 24.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 pt-20 -54.25 -25.99 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -77.49 0.22 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -119.51 28.89 7.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 14.3 m-85 -129.6 116.79 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -134.65 130.65 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -88.52 140.64 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.38 108.61 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 88' ' ' VAL . 49.0 mttt -89.73 122.88 33.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -125.44 -173.14 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -77.71 -31.24 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -74.81 -75.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 7.8 ptt180 -149.37 176.57 10.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -88.66 135.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -113.02 140.81 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.61 101.91 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.4 167.69 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 1.6 p -169.47 133.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -75.81 -178.24 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.77 -23.87 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -123.56 171.57 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -76.01 -48.72 3.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.93 -18.27 19.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -75.04 -38.13 61.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.99 -53.57 25.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -44.97 -45.09 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.11 -42.38 94.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 43.6 m95 -58.95 -58.75 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.83 -59.31 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -44.91 -56.35 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.601 ' NE ' ' CG ' ' A' ' 10' ' ' TYR . 1.9 mtt85 -49.57 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.4 mt -50.79 -56.04 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' HA ' HD11 ' A' ' 110' ' ' LEU . 3.7 mm-40 -53.19 -30.16 36.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' ASP . 8.0 t -76.97 -5.48 48.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 39.4 m -89.07 -63.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -33.79 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 156.8 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.24 154.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 163.61 -145.27 10.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.14 4.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 43.82 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.5 p -134.42 -57.99 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 m -133.65 170.11 16.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -150.81 100.44 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.88 -102.06 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p 58.35 169.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -93.81 111.84 23.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.13 178.12 15.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 17.94 14.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -141.76 -169.21 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -114.82 111.65 21.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.89 158.95 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.31 156.2 10.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.95 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 102' ' ' TRP . 7.6 mt -148.69 118.8 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.764 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.1 m-85 -84.47 156.82 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 163.31 21.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.607 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 5.4 ttpt -112.51 146.08 39.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.11 117.89 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -165.72 -171.5 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' LYS . 29.0 m-85 -82.41 86.2 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 69.1 -58.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' PHE . 3.8 mmmt -41.03 160.75 0.13 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 13.8 m0 -52.26 145.73 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 107.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 2.2 mmtm -100.47 144.36 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -110.95 125.06 53.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 162.32 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.22 120.67 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -108.32 167.91 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 93.2 t -134.11 135.04 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -107.71 84.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.57 143.66 46.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -120.26 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 50.5 p -52.42 -42.5 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -117.04 6.19 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.72 88.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.564 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -156.61 168.09 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.37 106.25 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 36.3 mtt180 -110.75 123.8 50.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 47.2 p90 -124.98 137.19 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 8.6 m-85 -126.52 164.56 20.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.56 -39.86 57.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 157.33 35.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -50.84 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -82.52 52.71 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.65 159.86 21.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -130.44 45.75 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.12 113.96 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -91.71 127.04 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.264 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.5 mtmm -119.81 91.52 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.92 143.46 14.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.24 147.98 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -125.44 103.28 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -64.84 113.09 3.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 38' ' ' LEU . 50.6 mt -65.18 -30.72 71.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -13.74 58.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' THR . 14.1 mm-40 -94.07 -21.2 19.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' THR . 56.8 t -60.55 129.07 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.646 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.9 mt-10 -86.79 -32.9 20.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.94 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -134.06 157.67 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.45 144.59 21.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.01 119.78 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' PHE . . . -99.12 -177.74 31.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 p -109.57 159.77 30.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.95 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 p -77.03 -173.28 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.45 136.99 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.64 -39.47 2.82 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -50.11 165.99 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.5 Cg_endo -74.97 143.96 29.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -88.28 47.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -136.71 -51.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 94' ' ' GLN . 58.7 t -66.99 143.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -174.53 4.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.59 -24.29 27.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -91.31 51.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.78 -50.98 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 86.8 m-85 -51.08 125.3 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -137.17 128.98 28.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.1 133.42 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 71.1 t -105.05 115.21 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.466 ' HG2' HG22 ' A' ' 88' ' ' VAL . 36.6 mttt -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -130.47 164.22 25.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 57' ' ' GLU . 39.1 p -57.64 -52.91 63.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 84' ' ' THR . 23.4 ptt180 -166.06 164.2 18.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.7 t -73.88 141.03 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -115.5 165.6 12.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 28.9 m120 -127.06 103.41 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -126.2 157.55 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.557 ' O ' HD23 ' A' ' 14' ' ' LEU . 21.4 p -164.52 145.21 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -84.6 -176.53 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -92.15 -17.8 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -129.74 170.59 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.4 t -74.34 -46.86 5.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -20.64 16.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -73.62 -38.55 65.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -67.58 -52.64 36.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -45.42 -44.63 12.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -57.55 -39.55 76.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.669 ' CD2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -65.02 -60.24 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 108.051 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.4 t -43.72 -61.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.1 t70 -44.63 -63.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 31' ' ' LEU . 5.6 mpt_? -40.51 -67.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.68 -53.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.483 ' HA ' HD21 ' A' ' 110' ' ' LEU . 1.3 mm-40 -53.52 -24.67 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ASP . 5.0 t -75.29 -8.69 57.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.96 72.31 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 107' ' ' GLN . 89.2 mt -96.17 -106.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.32 -54.51 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 p -131.9 136.71 47.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.74 -179.85 29.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.6 36.8 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.15 115.65 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.2 p -62.61 137.51 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -127.01 161.14 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p -104.94 129.01 53.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 -142.68 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.14 -58.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -43.85 147.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 128.6 9.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -170.02 126.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.781 . . . . 0.0 110.259 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.28 -169.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -114.23 125.83 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.54 143.44 49.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.79 149.9 10.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -49.97 138.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.4 mt -150.99 118.76 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.836 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 36.1 m-85 -82.51 157.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 26.6 ttpt -142.16 107.08 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.6 tttm -40.44 149.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.51 -111.71 1.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.91 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.87 158.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -46.87 -53.61 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' MET . 9.9 mtmt -41.35 161.26 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.01 166.6 28.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m0 -51.19 134.27 27.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -68.54 125.38 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.836 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.62 125.36 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -135.48 160.38 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -84.76 125.21 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 107.969 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -110.01 169.63 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 66.2 t -138.35 125.84 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -103.47 85.08 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.17 158.26 36.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -125.58 -43.4 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -47.67 -45.54 28.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' C ' ' CG ' ' A' ' 36' ' ' HIS . 22.6 mttt -117.42 0.52 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' C ' HD12 ' A' ' 55' ' ' LEU . 10.6 p80 45.23 88.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' N ' HD12 ' A' ' 55' ' ' LEU . 91.5 mt-30 -151.51 163.83 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.58 106.93 15.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HG2' HG22 ' A' ' 52' ' ' VAL . 8.8 mtp180 -113.89 123.5 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 54.1 p90 -123.8 135.33 53.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 2.8 m-85 -122.19 168.42 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.44 -28.7 56.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -101.51 -171.8 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -93.28 -13.4 28.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASP . 5.4 ptp -140.59 -45.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER 39.61 -157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -138.87 -51.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.74 139.98 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 40.1 m -81.46 139.3 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 13.6 mmmt -120.88 91.49 3.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 85.17 127.11 1.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 39' ' ' ARG . 14.4 t -125.98 145.52 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -122.4 102.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.648 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 51.3 t0 -60.42 105.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HA ' HG23 ' A' ' 58' ' ' VAL . 93.3 mt -58.77 -28.07 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.648 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -67.69 -23.02 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 85' ' ' THR . 94.7 mt-10 -82.62 -14.57 54.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.752 HG22 ' CG2' ' A' ' 84' ' ' THR . 98.4 t -65.84 140.61 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.6 mt-10 -104.21 -31.17 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.233 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.05 164.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -131.67 157.78 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -145.28 143.85 21.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.05 -174.03 46.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -113.94 159.44 36.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.6 p -106.18 -167.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.8 133.77 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 103.77 -36.44 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.45 158.69 3.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HG2' HG12 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -102.54 -40.8 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -39.05 -65.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.606 HG21 ' O ' ' A' ' 93' ' ' ALA . 12.6 p -64.06 150.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.31 -164.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.88 -28.62 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 96' ' ' VAL . 20.2 mtpp -85.7 48.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -146.97 -47.19 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 73.7 m-85 -52.23 128.76 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -142.28 131.04 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -90.18 131.72 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.1 t -104.21 112.45 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.744 ' HG2' HG22 ' A' ' 88' ' ' VAL . 50.6 mttt -90.14 126.12 35.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.752 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 p -132.46 160.2 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 57' ' ' GLU . 73.2 p -50.28 -46.56 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.79 -72.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -155.76 -169.92 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.744 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -102.1 147.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -122.32 161.59 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.62 79.66 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.95 162.01 13.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.3 p -165.96 140.3 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.606 ' O ' HG21 ' A' ' 74' ' ' VAL . . . -84.3 -175.85 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -15.38 20.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.47 159.99 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -73.12 -47.49 7.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.9 m -82.29 -35.28 28.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -66.81 -51.02 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -47.31 -37.14 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 105' ' ' ARG . 23.1 mt-30 -66.8 -34.81 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 57.4 m95 -68.04 -54.22 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.37 -62.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' SER . 14.2 t70 -43.07 -60.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 101' ' ' GLN . 5.1 mpt_? -42.69 -70.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.87 -47.85 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.512 ' HA ' HD21 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -58.62 -23.39 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -76.35 -7.05 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 68.3 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 107' ' ' GLN . 75.0 mt -91.56 -105.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -56.13 4.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.3 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.43 -175.62 15.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.53 5.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.2 m -61.13 -58.13 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.5 p -125.32 79.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -168.33 167.97 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.043 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -109.85 150.1 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.57 -142.91 3.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -81.66 114.22 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.03 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 p -131.67 145.8 51.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.52 62.57 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.42 13.26 7.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.756 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 166.62 170.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -112.16 127.85 56.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -120.45 141.61 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.24 166.55 37.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.1 mm -67.42 138.87 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' CD2' ' A' ' 102' ' ' TRP . 12.4 mt -151.09 119.14 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.997 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -82.32 164.56 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -148.25 130.79 15.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.1 tttt -69.05 161.34 29.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' ALA . . . 100.49 99.62 2.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' GLY . . . 176.95 165.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -53.28 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 ttm -38.33 -47.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -41.07 160.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.67 10.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.4 m0 -49.35 122.93 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -68.89 133.6 48.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.997 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -98.62 122.35 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -132.01 162.35 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -81.43 127.51 32.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.039 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.739 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -109.85 171.4 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.6 138.45 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -114.2 84.69 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 35.2 t0 -75.86 141.42 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -109.19 -35.66 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 49.6 p -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 4.3 mmtt -104.68 -12.4 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 27.9 p80 49.95 58.33 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -138.86 164.7 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.739 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.38 109.32 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.67 121.52 44.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 35.7 p90 -127.93 148.8 50.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -137.57 165.28 26.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.0 -36.08 80.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -118.87 -175.68 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -91.21 118.09 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.0 ttm 64.82 51.91 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.02 154.74 19.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 t -91.64 35.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -152.69 107.69 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.0 140.64 35.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 11.5 mmmt -113.41 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 135.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -106.16 156.57 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.561 HD12 HD22 ' A' ' 38' ' ' LEU . 3.0 mt -106.76 96.29 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.68 106.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 38' ' ' LEU . 19.9 mt -60.11 -16.41 31.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.94 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.05 -25.47 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' CG2' ' A' ' 84' ' ' THR . 43.1 t -55.22 124.2 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.67 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.4 mm-40 -80.44 -31.36 37.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.38 160.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -123.39 156.02 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.58 144.43 22.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 89.32 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.557 1.82 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 -174.04 41.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -115.29 160.23 35.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.99 136.85 20.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -114.29 -179.13 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.6 114.3 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.42 -38.79 1.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.53 165.05 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.1 Cg_endo -74.99 140.66 25.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -82.89 52.21 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -141.8 -50.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 75' ' ' ASP . 50.1 t -62.97 164.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -115.03 149.92 36.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -52.73 -20.2 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -91.28 31.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -151.63 22.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 27.4 m-85 -119.38 107.97 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.42 ' CD2' HG23 ' A' ' 82' ' ' VAL . 30.6 p90 -121.2 130.11 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.57 116.66 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG23 ' CD2' ' A' ' 80' ' ' PHE . 41.9 t -90.78 106.61 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -81.24 129.35 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.761 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -136.22 173.21 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 p -65.56 -51.84 56.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -162.77 -170.24 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.22 132.86 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 19.1 m-85 -105.95 150.13 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.76 81.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 39.5 m-85 -98.95 158.44 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.8 p -164.3 139.88 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -81.74 174.56 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.0 -18.09 31.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -129.68 163.44 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -70.46 -47.42 18.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 -18.43 18.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 m -76.59 -36.2 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.68 -53.39 28.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -44.69 -43.19 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -61.74 -46.46 89.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.766 ' CD2' HD11 ' A' ' 14' ' ' LEU . 63.0 m95 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 63.9 t -44.77 -65.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 32.5 t0 -39.74 -59.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.61 -69.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 55' ' ' LEU . 12.9 mt -48.22 -55.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.411 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 0.6 OUTLIER -50.95 -32.6 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 4.4 t -64.43 -11.81 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.6 69.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 60' ' ' ALA . 29.0 mt -80.06 -100.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.25 -45.3 7.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.82 -64.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.0 -147.7 22.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 132.04 14.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.2 p -62.0 141.23 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.45 108.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -166.96 96.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -159.98 108.97 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.91 107.25 2.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.45 134.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -61.49 148.05 43.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.21 -155.48 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.78 132.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -119.17 -167.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 13.3 t80 -110.83 169.32 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -168.85 136.95 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.82 167.21 39.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.04 140.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 7.4 mt -150.96 118.98 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.3 m-85 -86.67 159.08 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 7.7 ttmt -136.53 140.38 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 20.9 tttm -59.5 141.05 55.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.05 83.54 0.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 49.02 -169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -98.61 50.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -85.64 157.7 57.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 m95 -92.62 115.93 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -83.57 136.85 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -81.57 134.2 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.61 161.3 37.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -94.83 115.59 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.898 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -100.53 167.64 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.4 t -140.86 116.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -95.16 84.38 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.59 131.24 37.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -30.21 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -72.23 -36.4 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' ND1' ' A' ' 36' ' ' HIS . 12.1 mmtt -105.18 -6.9 19.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 35' ' ' LYS . 11.8 p80 45.09 67.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.3 pt20 -152.12 155.23 37.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.898 HD21 ' CD2' ' A' ' 29' ' ' PHE . 3.8 tt -108.2 99.57 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' VAL . 11.0 mtm180 -100.32 127.45 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 38.1 p90 -122.95 139.69 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 20.3 m-85 -127.19 160.43 31.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -37.84 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -124.14 129.58 51.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -48.26 -52.74 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ttp -77.13 63.76 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -120.9 134.2 55.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -108.3 36.97 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -157.05 125.07 5.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 63.0 m -75.52 140.38 42.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -121.0 91.36 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.77 123.0 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -112.31 149.42 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.693 HD12 HD22 ' A' ' 38' ' ' LEU . 1.6 mt -123.04 105.06 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.623 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 63.3 t0 -62.24 104.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 37' ' ' GLN . 31.2 mt -62.78 -22.01 66.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.623 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -72.84 -6.2 43.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 85' ' ' THR . 31.0 mt-10 -101.91 -12.27 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' A' ' 84' ' ' THR . 49.8 t -64.98 123.4 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 47.2 mt-10 -81.95 -29.53 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.35 162.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -127.77 155.5 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.02 143.7 29.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.55 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.89 -172.68 47.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.11 161.4 33.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.2 p -112.09 -175.73 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.63 135.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.95 -40.38 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HA ' ' CD1' ' A' ' 24' ' ' TRP . . . -43.25 160.79 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.62 19.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' HG23 ' A' ' 73' ' ' THR . 0.1 OUTLIER -82.7 65.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 72' ' ' LYS . 34.7 p -151.18 -60.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 4.5 p -66.28 153.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.0 -167.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.06 -28.88 22.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -84.24 50.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.54 -46.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 76.6 m-85 -55.34 124.95 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -137.67 128.52 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.68 134.04 34.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.14 109.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG3' HG22 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -84.75 120.36 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.636 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -124.39 -174.58 3.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 57' ' ' GLU . 18.8 p -78.83 -48.15 15.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 84' ' ' THR . 13.8 ptp180 -158.94 169.49 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HG3' ' A' ' 83' ' ' LYS . 3.1 t -78.12 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.83 153.48 32.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -116.68 97.63 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 21.6 m-85 -117.48 159.83 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.7 137.41 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -77.15 -168.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -25.1 14.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -126.5 176.09 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -78.38 -49.08 1.84 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 -30.46 60.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -74.44 -48.15 29.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.56 -36.97 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.38 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.617 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 50.7 m95 -71.4 -50.5 31.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.4 t -50.02 -61.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -50.1 9.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.66 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.55 -50.05 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 23.7 mt-30 -54.4 -25.91 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -75.99 -6.52 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 57.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 60' ' ' ALA . 27.5 mt -73.36 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.0 p -71.73 166.23 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -59.95 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.37 154.71 6.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.7 98.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.99 106.97 9.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t 46.17 86.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.59 140.45 47.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -156.95 -61.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -74.23 -55.44 6.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.14 -59.91 0.37 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -168.07 130.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.793 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 2.1 t 64.97 160.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 27.1 t80 -113.55 165.93 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.29 131.93 16.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -170.99 170.23 43.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.644 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.4 mm -68.95 139.38 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 102' ' ' TRP . 14.3 mt -151.37 119.56 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 9.4 m-85 -84.66 156.82 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -131.61 122.13 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tttm -47.39 148.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.31 -80.64 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.02 -174.73 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -95.76 38.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.26 -46.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -98.36 159.06 31.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.95 43.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.803 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLY . 16.8 m0 -57.12 152.65 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -79.35 117.45 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.45 114.47 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -141.43 164.01 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.0 t-105 -81.76 121.64 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -103.3 169.38 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 92.4 t -139.83 134.84 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -104.65 85.04 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 1.1 t70 -73.6 136.66 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -39.53 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -54.92 -41.38 70.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -107.46 -18.19 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.7 OUTLIER 65.14 73.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.578 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -151.48 168.42 24.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.685 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 83.8 mtt180 -104.26 127.29 51.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 41.6 p90 -128.06 140.38 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 6.8 m-85 -123.36 166.82 14.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.09 -40.99 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -115.29 176.58 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.577 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -90.53 -37.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 42.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.49 146.97 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -116.37 43.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 3.3 mt-10 -149.16 122.86 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.87 116.79 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -116.71 92.53 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 106.54 148.85 16.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.2 151.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 HD22 ' A' ' 38' ' ' LEU . 1.1 mt -139.41 98.48 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.26 116.21 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 HD22 ' A' ' 31' ' ' LEU . 57.9 mt -68.4 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -15.94 58.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 85' ' ' THR . 65.7 mt-10 -88.43 -26.45 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.777 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.1 t -61.75 128.52 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.0 mt-10 -90.15 -31.73 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.08 177.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -140.17 157.67 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.31 144.42 21.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.97 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.56 -167.26 41.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 p -123.17 158.19 58.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.0 135.17 18.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 p -127.55 -153.48 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.96 159.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 39.75 54.22 2.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.922 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -83.49 -174.53 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.922 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.97 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' C ' ' CG2' ' A' ' 73' ' ' THR . 5.1 mmtt -73.24 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 72' ' ' LYS . 5.5 p -152.86 76.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 78' ' ' ALA . 70.8 t -106.22 149.65 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.57 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -81.25 123.75 28.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 5.5 pt-20 -36.7 -34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.2 mtpt -62.29 -55.9 23.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -40.0 -61.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 86.0 m-85 -33.72 138.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 40.3 p90 -159.44 124.82 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -84.53 131.53 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.4 t -104.57 104.72 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HG2' HG22 ' A' ' 88' ' ' VAL . 17.9 mttt -77.0 127.35 32.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.777 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -130.75 -173.88 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLU . 21.3 p -79.79 -41.35 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -64.67 -70.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 84' ' ' THR . 34.2 ptt-85 -158.29 161.84 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.471 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -70.38 138.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -111.07 165.37 11.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.13 89.46 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 23.0 m-85 -109.33 158.06 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.662 ' O ' HD23 ' A' ' 14' ' ' LEU . 13.8 p -156.85 155.17 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -99.67 170.34 8.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.644 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -84.31 -0.27 51.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.85 166.34 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -75.5 -47.4 4.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -17.38 19.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 m -78.3 -39.98 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -68.27 -51.22 47.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -46.26 -43.9 16.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.73 -42.02 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.714 ' CD2' HD11 ' A' ' 14' ' ' LEU . 47.9 m95 -59.62 -57.59 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.1 -61.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -55.15 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 108' ' ' SER . 9.1 mtt-85 -53.62 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.95 -49.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.679 ' HA ' HD11 ' A' ' 110' ' ' LEU . 4.4 mm-40 -59.0 -29.73 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -82.75 -5.65 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 3.4 m -136.02 61.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.679 HD11 ' HA ' ' A' ' 107' ' ' GLN . 36.2 mt -103.06 -136.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.77 151.94 23.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -127.16 88.95 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.4 -171.82 12.88 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 99.53 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.4 p -177.22 138.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -60.95 114.09 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p -145.42 -48.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -103.9 158.53 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.19 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -40.57 140.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 68.8 133.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.12 -127.97 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.43 -158.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -139.13 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 21.2 t80 -114.53 157.28 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 pm0 -146.57 163.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.62 151.45 6.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.9 mm -57.96 144.12 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.605 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.2 mt -151.2 119.03 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 6.6 m-85 -81.95 167.33 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -145.3 120.34 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.7 tttm -59.42 161.3 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 19' ' ' ALA . . . 98.03 102.51 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' GLY . . . 174.88 160.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -52.49 -174.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.26 -42.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -46.38 160.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.5 29.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.5 m0 -47.35 146.13 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 20.7 tptm -83.85 149.84 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 25' ' ' LYS . . . -106.29 120.12 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -121.42 162.32 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 73.8 t-105 -96.42 104.77 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.973 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -89.57 170.86 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ARG . 14.8 t -145.16 114.23 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -89.92 83.79 6.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -80.16 128.2 33.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -96.71 -36.1 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.9 p -70.65 -30.31 66.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.78 -30.62 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.92 39.84 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.637 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -136.79 163.42 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.973 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.5 103.23 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 4.2 mtt180 -100.59 122.54 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 34.7 p90 -130.4 144.59 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.7 m-85 -123.26 164.99 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.4 -33.33 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' C ' ' OD1' ' A' ' 46' ' ' ASP . 26.0 m-70 -122.23 -171.88 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HG3' ' CD2' ' A' ' 28' ' ' TRP . 14.4 ttp-105 -107.77 11.87 27.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.85 37.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -95.46 129.93 42.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -78.38 -31.61 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.377 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -103.0 138.93 39.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 t -97.26 142.51 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 10.9 mmmt -120.0 91.42 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.46 152.03 19.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' A' ' 39' ' ' ARG . 2.3 t -148.69 155.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -136.61 101.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.96 120.86 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.24 -26.95 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.79 -8.62 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 85' ' ' THR . 68.0 mt-10 -98.58 -23.34 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.533 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.3 t -58.3 128.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 56.5 mt-10 -90.33 -31.12 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.97 175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.27 157.64 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -144.82 144.25 23.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.97 120.91 6.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.81 -173.67 27.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -113.32 160.85 29.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.99 115.56 4.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.9 p -98.04 -174.49 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.432 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.81 136.23 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.61 -40.02 2.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.594 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -47.83 165.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.95 175.69 10.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -102.3 -46.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.504 HG11 ' SG ' ' A' ' 92' ' ' CYS . 94.6 t -61.87 154.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -160.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.31 -30.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 96' ' ' VAL . 24.0 mtpp -84.61 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.73 -47.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.594 ' HZ ' ' HB1' ' A' ' 70' ' ' ALA . 52.3 m-85 -49.47 127.53 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -145.16 130.34 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.53 135.45 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' A' ' 91' ' ' PHE . 47.9 t -105.38 115.06 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 88' ' ' VAL . 57.0 mttt -92.69 134.98 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.533 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.2 p -138.2 -170.92 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -79.48 -41.31 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -72.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 9.7 ptt180 -154.59 175.86 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 83' ' ' LYS . 3.2 t -83.99 144.53 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.07 161.93 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -130.75 93.09 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.428 ' HD2' HG21 ' A' ' 82' ' ' VAL . 18.7 m-85 -104.47 167.01 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.6 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -152.95 160.19 43.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.97 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.49 34.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.19 164.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.05 -46.26 3.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 -17.11 19.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 m -78.48 -35.32 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.933 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -69.34 -53.1 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -46.32 -45.97 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.19 -35.96 80.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CD2' HD11 ' A' ' 14' ' ' LEU . 22.7 m95 -66.53 -51.84 52.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.42 -56.21 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -45.21 -46.52 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -61.39 -61.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.42 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 13.7 mt -51.44 -50.46 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' CD ' HD11 ' A' ' 110' ' ' LEU . 3.1 mm-40 -59.35 -14.85 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 t -96.97 -5.17 38.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.8 p -98.07 -27.39 14.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 110' ' ' LEU . 4.0 mt -37.1 -36.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -152.26 126.14 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p 174.3 86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.67 155.09 50.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -41.37 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 111.057 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.41 -54.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.8 162.45 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 p -143.97 -59.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.73 152.79 21.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.81 -175.37 45.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 179.96 131.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 63.11 149.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.68 123.25 5.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.62 142.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 m -146.95 -169.14 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -109.55 156.37 20.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -155.7 152.58 28.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.21 165.48 33.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.472 HG21 ' HG3' ' A' ' 94' ' ' GLN . 2.6 mm -66.41 140.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 92' ' ' CYS . 12.1 mt -151.24 119.12 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.854 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 m-85 -85.68 148.75 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.88 119.34 30.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.563 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 17.9 tttt -48.11 133.51 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.87 164.17 23.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -75.43 -171.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' MET . 7.7 m-85 -45.11 171.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER 80.1 80.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' ' CE ' ' A' ' 21' ' ' MET . 3.7 mttt 75.95 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 18.2 Cg_endo -75.07 -169.82 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.4 m0 -52.53 135.49 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -76.73 128.88 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -93.56 123.52 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.68 162.75 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -88.55 120.04 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.668 ' CD2' HD21 ' A' ' 38' ' ' LEU . 4.0 m-30 -104.67 170.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 75.0 t -135.05 146.64 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.18 84.65 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -70.11 148.54 48.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 2.4 ptpt -122.59 -41.41 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 34' ' ' THR . 54.2 p -51.64 -44.28 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 17.5 mttt -115.65 0.17 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 13.6 p80 47.36 85.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 73.2 mt-30 -153.82 155.95 36.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 53' ' ' ILE . 2.4 tt -109.03 103.15 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -108.03 133.33 52.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 34.2 p90 -127.39 132.08 50.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.539 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 8.6 m-85 -123.29 168.97 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.69 -38.22 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -115.59 146.14 42.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -29.4 70.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.34 74.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -125.64 143.39 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 t -109.07 36.33 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.26 121.35 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 3.8 m -81.79 132.07 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.236 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.7 mttt -120.71 91.09 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.64 129.26 1.58 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.06 149.7 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 38' ' ' LEU . 2.0 mt -128.11 101.26 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 48.3 t0 -57.05 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 37' ' ' GLN . 36.5 mt -57.44 -21.19 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -71.44 -15.32 62.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.9 -14.34 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.625 HG22 ' CG2' ' A' ' 84' ' ' THR . 38.1 t -61.61 122.17 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -78.44 -33.1 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.18 157.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -119.33 149.92 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . . . -140.75 144.28 35.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.47 -172.52 24.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -108.03 158.24 34.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.439 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.809 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -73.96 179.23 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.48 131.66 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.8 -41.22 2.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.2 164.56 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -35.16 68.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -47.31 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 92' ' ' CYS . 62.5 t -51.26 145.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.08 155.4 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.68 -20.92 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -91.38 30.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -149.09 20.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 16.8 m-85 -117.0 110.71 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' ALA . 28.4 p90 -125.66 127.74 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.63 120.34 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.5 t -91.06 107.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HG2' HG22 ' A' ' 88' ' ' VAL . 2.0 mttm -84.86 130.31 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -132.93 -171.75 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 p -77.71 -42.64 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -160.08 -175.76 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -93.83 134.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -106.64 160.38 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.89 92.23 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -112.07 158.22 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.731 ' HB2' HG11 ' A' ' 74' ' ' VAL . 7.9 p -158.66 137.91 11.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.86 177.99 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.02 13.86 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.44 159.49 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.59 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -69.78 -47.58 23.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.03 -15.8 20.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -80.43 -30.03 37.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.66 -51.93 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -47.17 -40.1 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.452 ' O ' ' NE ' ' A' ' 105' ' ' ARG . 23.0 mt-30 -63.56 -39.63 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 48.3 m95 -64.19 -60.19 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' TRP . 75.3 t -40.39 -63.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -43.94 -65.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -39.77 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' CYS . 40.1 mt -47.69 -56.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.538 ' HA ' HD11 ' A' ' 110' ' ' LEU . 4.1 mm-40 -52.04 -26.09 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -79.11 -18.93 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 110' ' ' LEU . 86.5 m -74.33 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -34.48 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -67.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -153.99 155.56 35.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.65 169.27 13.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.15 -56.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.4 m -141.09 115.27 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.64 118.45 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.19 -161.67 12.85 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 62.21 72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p 177.15 160.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.1 -162.9 38.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 68.48 139.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -110.64 -166.14 1.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 1.6 t80 -109.69 154.12 23.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.29 122.13 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.572 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -164.34 162.19 35.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' HB ' ' NE2' ' A' ' 94' ' ' GLN . 4.0 mm -59.01 141.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 14' ' ' LEU . 8.5 mt -151.23 118.93 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 54.4 m-85 -90.39 155.48 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 1.8 ttmt -133.28 154.83 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.7 tttm -66.71 173.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -154.95 -64.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 77.27 1.96 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.07 159.61 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.04 86.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . 10.4 mmtt 70.08 163.12 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.1 m95 -49.54 120.53 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -79.05 146.78 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -108.91 126.4 53.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -140.55 159.55 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.3 t-105 -85.63 124.5 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.956 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.927 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-30 -107.4 167.51 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -140.05 124.43 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.2 92.85 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 152.15 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -42.32 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.417 ' H ' HG23 ' A' ' 34' ' ' THR . 44.3 p -50.7 -33.82 24.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' HIS . 16.6 mttt -129.9 8.78 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER 38.58 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -148.77 167.02 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -118.01 108.33 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 52' ' ' VAL . 46.7 mtt85 -108.73 119.95 41.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 26.8 p90 -130.4 147.66 52.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -139.15 164.31 30.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -67.1 -23.36 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.31 151.62 35.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 4.6 ttp180 -47.28 -50.69 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 ttp -125.35 83.27 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 51.0 t0 -92.89 166.43 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.422 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 4.3 t -99.21 -38.55 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.98 129.0 46.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.32 151.22 21.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.257 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 17.0 mmmt -120.84 91.03 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 124.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -105.59 157.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 HD22 ' A' ' 38' ' ' LEU . 6.1 mt -118.52 97.09 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.33 101.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 38' ' ' LEU . 19.5 mt -58.22 -19.92 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.18 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.728 ' OE1' HG21 ' A' ' 85' ' ' THR . 60.6 mm-40 -88.74 -17.68 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.566 HG22 ' CG2' ' A' ' 84' ' ' THR . 42.8 t -60.45 121.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 51.8 mt-10 -80.02 -29.64 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.47 167.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.39 157.42 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -147.54 145.09 20.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.02 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.67 -167.45 32.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.67 157.76 47.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.95 152.44 41.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.563 1.823 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -133.56 -165.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.4 mt -74.8 135.57 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.65 -46.13 1.27 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.66 156.09 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.95 28.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.26 -37.62 74.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -39.03 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.65 156.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.08 179.91 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.4 pt-20 -65.2 -36.9 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 96' ' ' VAL . 16.6 mtmt -78.39 54.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -157.98 -45.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 92' ' ' CYS . 81.8 m-85 -58.53 119.7 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -127.28 129.34 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -87.13 138.2 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.4 t -109.52 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 88' ' ' VAL . 29.6 mttt -84.89 127.16 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.566 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -128.0 -169.39 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.728 HG21 ' OE1' ' A' ' 57' ' ' GLU . 7.2 p -84.82 -47.28 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 87' ' ' ARG . 14.2 ptm180 -59.67 -47.39 85.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -170.4 -152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -122.9 141.61 42.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 53' ' ' ILE . 14.6 m-85 -118.23 146.01 44.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -115.04 98.44 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 16' ' ' LYS . 23.1 m-85 -110.59 160.09 16.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 23.5 p -162.3 141.1 9.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 108.322 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -83.28 -169.42 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' NE2' ' HB ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -95.59 -15.85 22.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.8 t0 -134.41 169.03 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.73 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -76.22 -47.43 3.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.97 -17.88 19.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 t -79.2 -34.83 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -67.73 -50.77 55.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -48.25 -44.02 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.37 -33.3 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.54 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 37.7 m95 -72.03 -62.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -45.81 -51.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -49.35 -43.18 43.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 mtt85 -65.27 -56.8 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.415 HG23 HD22 ' A' ' 55' ' ' LEU . 8.5 mt -55.22 -47.25 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -25.12 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -6.42 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 67.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.293 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.77 -106.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 -55.2 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.2 m 59.6 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 137.93 -158.3 24.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.06 17.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.33 124.23 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -93.42 157.85 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.07 170.06 20.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.34 159.3 42.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 73.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 174.46 166.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p 50.43 -179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.38 -128.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.9 14.91 30.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -148.76 -169.89 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 76.0 t80 -111.92 171.14 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 9.5 pt-20 -152.73 178.24 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 163.64 12.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG21 ' OE1' ' A' ' 94' ' ' GLN . 2.3 mm -68.88 139.57 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 16.3 mt -151.56 119.6 6.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.872 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m-85 -88.77 167.83 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -144.24 123.51 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -67.47 107.3 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.16 -64.3 2.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.87 179.77 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -76.01 165.51 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.09 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 155.64 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.78 30.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 13.2 m0 -73.69 148.93 42.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 131.38 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.872 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -138.64 163.07 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD1' ' HA ' ' A' ' 44' ' ' ARG . 76.4 t-105 -89.81 114.83 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.878 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -97.91 171.68 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.7 t -140.58 134.44 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.42 83.66 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.69 125.23 30.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.39 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 p -73.21 -36.45 66.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 11.2 mmtt -96.75 -13.78 22.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 19.9 p80 50.07 47.86 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.648 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.616 ' NE2' HG21 ' A' ' 52' ' ' VAL . 4.2 mt-30 -139.77 161.63 37.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.878 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -107.97 105.94 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' NH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -102.58 123.07 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . 10.8 p90 -134.46 144.25 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -136.73 163.41 30.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.46 -43.18 34.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -125.29 -173.69 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -52.55 -55.78 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 mtt -133.06 91.72 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -100.61 12.78 36.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t 38.44 30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.3 mt-10 -153.37 104.39 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 t -93.66 126.42 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 108.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -105.7 91.26 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . . . 70.35 123.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.682 HG11 ' NH2' ' A' ' 39' ' ' ARG . 15.0 m -103.16 174.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.736 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -129.0 99.69 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.843 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 13.0 t70 -62.01 105.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 38' ' ' LEU . 30.4 mt -57.17 -25.07 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.843 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -68.68 -12.05 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 85' ' ' THR . 14.9 mm-40 -97.82 -18.76 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 84' ' ' THR . 89.4 t -68.99 136.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.4 mt-10 -95.87 -29.73 14.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.03 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -135.32 157.56 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.91 144.55 20.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 130.99 13.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.46 -166.21 17.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 p -114.33 158.62 39.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 105.17 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -84.84 -175.59 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.67 139.51 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 -38.02 3.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -55.2 160.14 3.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 168.62 24.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -94.27 -40.86 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -40.77 -58.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 75' ' ' ASP . 9.4 p -61.12 164.55 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.522 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.4 t0 -114.2 -178.86 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -78.62 -29.96 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.626 ' HB2' HG22 ' A' ' 96' ' ' VAL . 43.2 mtpt -84.86 50.25 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -146.28 -57.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 75.5 m-85 -40.43 132.57 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -146.68 127.11 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -88.0 138.38 31.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.478 HG12 HG23 ' A' ' 84' ' ' THR . 25.6 t -109.05 115.33 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -86.71 118.68 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.843 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -127.02 176.75 7.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -69.66 -50.2 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -158.94 159.59 35.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.33 138.58 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -113.91 128.24 56.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.94 87.47 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -98.13 167.3 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.459 ' SG ' ' CE3' ' A' ' 24' ' ' TRP . 5.7 p -175.47 133.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.53 -143.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' OE1' HG21 ' A' ' 13' ' ' ILE . 14.8 pt20 -135.95 24.46 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 98' ' ' SER . 0.2 OUTLIER -156.51 159.29 38.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 77' ' ' LYS . 1.2 t -76.05 -47.1 3.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.07 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.42 ' HB2' ' CB ' ' A' ' 95' ' ' ASP . 52.6 m -43.54 -36.31 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 102' ' ' TRP . . . -69.99 -54.31 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -45.02 -38.91 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -62.63 -37.01 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 14' ' ' LEU . 79.8 m95 -64.61 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.33 -64.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' SER . 19.3 t0 -43.9 -61.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 6.6 mtt85 -44.67 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 mt -45.28 -54.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.52 ' HA ' HD21 ' A' ' 110' ' ' LEU . 24.9 mt-30 -52.23 -28.19 17.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -72.64 -17.75 61.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.6 75.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 60' ' ' ALA . 97.5 mt -96.95 -109.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -48.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.87 141.88 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.26 157.92 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.8 p -90.76 101.71 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -174.97 125.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -111.98 -72.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -166.19 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.93 177.03 23.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t 177.97 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -165.74 134.32 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.88 84.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' SER . 5.3 tpt180 -176.32 136.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 4.4 m -103.75 -156.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 22.7 t80 -134.59 161.31 35.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.86 150.74 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 165.01 31.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.55 143.84 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 12.5 mt -151.43 118.99 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.902 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.2 m-85 -86.72 156.15 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 5.9 tttp -123.1 165.81 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 40.2 tttm -108.77 153.61 23.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.691 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . 37.75 -144.6 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 83.54 -4.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER 175.5 148.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -37.73 -56.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -42.66 162.69 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.1 m95 -59.42 105.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -74.25 138.1 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.902 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -103.5 109.63 21.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -123.44 162.66 22.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 74.9 t-105 -85.73 122.7 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.4 m-30 -107.09 168.81 8.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.9 t -137.11 134.0 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.36 84.78 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 33.8 t0 -75.16 147.19 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -108.28 -37.07 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -72.4 -29.44 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 9.1 mmtt -105.94 -18.0 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 18.7 p80 48.47 53.66 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -132.82 170.28 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.12 105.46 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' OH ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -109.19 123.57 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 55.0 p90 -122.97 135.37 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.44 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 17.6 m-85 -111.34 143.56 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -29.62 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' MET . 43.0 m-70 -142.47 138.8 31.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -41.33 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.9 OUTLIER 80.29 65.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' THR . 36.2 t0 -83.55 165.18 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -37.69 -55.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' H ' HG23 ' A' ' 47' ' ' THR . 2.9 mt-10 -148.73 148.57 30.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 p -53.41 138.18 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -120.82 91.48 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 104.73 150.93 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 39' ' ' ARG . 3.1 t -145.13 155.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.638 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -136.78 99.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -57.25 104.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 38' ' ' LEU . 70.1 mt -58.92 -25.28 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -17.29 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' HB3' HG23 ' A' ' 85' ' ' THR . 70.7 mt-10 -90.27 -17.81 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.7 t -64.38 122.51 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 48.6 mt-10 -79.91 -31.62 40.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.19 161.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -124.69 155.07 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.18 144.33 31.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.19 179.75 38.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 p -104.86 156.58 35.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.417 1.746 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -82.82 -178.89 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.69 132.94 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -35.31 5.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -60.41 164.9 6.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.06 127.78 10.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -66.33 -48.33 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LYS . 29.7 p -37.3 -55.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.711 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 49.0 t -60.9 152.65 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -103.73 154.51 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 8.8 pt-20 -51.68 -28.59 15.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.759 ' HB2' HG22 ' A' ' 96' ' ' VAL . 9.7 mtpt -66.81 -9.55 38.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.711 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . . . -111.66 32.76 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 17.0 m-85 -131.62 109.28 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -136.22 128.38 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -87.12 141.89 28.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.61 110.84 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -88.11 122.26 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.685 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.45 -168.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 57' ' ' GLU . 43.0 p -83.01 -43.84 15.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -60.26 -67.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -159.3 -173.52 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.05 131.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -111.48 126.63 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -102.11 100.23 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -109.56 173.24 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' ALA . 1.1 p -172.53 133.21 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.356 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.46 -173.4 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -28.11 13.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 154.12 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.759 HG22 ' HB2' ' A' ' 77' ' ' LYS . 2.1 t -73.45 -45.55 7.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.0 -15.44 20.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 m -79.71 -34.66 39.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.84 -54.64 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -43.99 -37.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -72.34 -36.93 68.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.9 m95 -63.27 -50.73 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 -63.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.8 -42.72 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 10.1 mtt-85 -60.96 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.02 -47.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.684 ' HA ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -62.36 -32.88 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ASP . 28.8 t -68.72 -8.33 41.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 110' ' ' LEU . 1.2 m -101.84 -88.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 107' ' ' GLN . 2.9 mt 35.61 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.74 126.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 167.09 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.77 172.42 18.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 73.5 m -120.34 105.16 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -57.77 -56.81 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -161.08 -56.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.01 124.76 38.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.74 65.21 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 109.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -155.8 128.36 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.046 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.66 73.43 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.445 1.09 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' SER . 2.7 mtt85 56.85 96.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER 57.95 158.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.944 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' ' HD3' ' A' ' 105' ' ' ARG . 18.7 t80 -111.31 164.23 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -155.81 126.12 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.3 176.76 36.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.3 mm -72.77 142.03 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 92' ' ' CYS . 7.5 mt -151.62 119.5 6.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.893 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -86.48 154.36 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -125.97 128.59 47.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 7.2 ttpt -65.42 128.15 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.47 120.63 4.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.42 -169.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -111.01 156.25 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.51 24.06 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -117.84 159.63 41.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.641 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 12.4 m0 -62.98 158.03 20.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -104.94 143.39 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.34 125.17 41.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.56 159.94 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 44' ' ' ARG . 62.2 t-105 -95.41 118.42 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.722 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.8 m-30 -103.79 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -136.67 121.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.74 82.74 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -79.01 128.48 33.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -32.78 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 p -67.57 -38.66 84.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -97.86 -7.11 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.5 p80 44.4 42.66 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 54' ' ' ASP . 4.4 mt-30 -131.22 171.59 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.722 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -115.22 106.75 14.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -102.2 120.22 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 22.4 p90 -132.92 138.71 47.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -131.26 169.77 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -21.97 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -110.49 -178.82 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.62 -43.12 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -67.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 8.1 t70 58.28 160.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -114.32 -27.59 7.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 3.4 pt-20 -107.3 116.64 32.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 31.7 p -86.21 153.2 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.609 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -112.04 90.47 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.14 124.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.1 m -100.23 156.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -110.88 98.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -62.09 105.57 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.74 -20.13 32.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.0 65.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -91.76 -22.82 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' A' ' 84' ' ' THR . 53.2 t -58.72 127.14 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt-10 -92.65 -29.43 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.67 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -133.27 156.13 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.64 145.81 24.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.5 Cg_endo -74.95 119.52 5.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' THR . . . -110.9 97.63 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.975 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -37.16 155.42 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.975 ' HD2' HG22 ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.0 p -112.91 -168.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -76.85 117.06 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -29.8 6.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.22 165.72 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.02 131.08 13.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 10.9 mptt -64.29 -54.61 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' LYS . 31.8 p -36.75 -54.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.57 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.23 156.63 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.27 -17.86 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 96' ' ' VAL . 5.9 mtmm -92.23 29.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.49 20.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 8.2 m-85 -110.35 118.24 35.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -140.78 133.14 28.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -100.11 147.15 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 84' ' ' THR . 25.3 t -107.19 113.53 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -87.5 107.96 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.694 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -114.93 -177.07 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p -75.84 -47.56 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -56.62 -64.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -167.5 162.4 14.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.7 t -73.64 140.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -116.68 160.57 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 8.0 m120 -121.92 117.15 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 90' ' ' ASN . 22.3 m-85 -136.43 158.64 43.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.635 ' O ' HD23 ' A' ' 14' ' ' LEU . 29.9 p -161.94 143.75 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.96 178.87 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.63 22.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.23 164.08 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -75.94 -47.02 3.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.02 -16.53 20.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -79.37 -36.11 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.36 -53.64 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -45.07 -42.98 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.1 m95 -66.87 -54.72 19.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -52.82 -64.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.8 t0 -41.64 -50.3 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD3' ' CB ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -52.6 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.3 mt -51.31 -44.71 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' CD ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -63.43 -23.95 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -77.42 -5.77 51.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 67.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD11 ' CD ' ' A' ' 107' ' ' GLN . 95.4 mt -92.13 -108.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.31 173.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.96 165.88 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.06 -177.72 47.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.1 m -84.58 113.0 20.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.59 150.63 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 136.66 34.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -89.76 134.77 34.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.03 101.1 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 p -131.53 70.67 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m 63.42 117.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.05 -78.74 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -157.05 159.03 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 10' ' ' TYR . 3.6 p -68.76 -152.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 43.5 t80 -114.34 170.92 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -151.3 -174.95 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.02 145.41 4.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -55.5 141.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.0 mt -150.66 119.04 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.006 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 63.1 m-85 -89.21 144.93 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -129.32 115.62 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 7.5 tttt -53.97 121.32 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.89 -178.34 18.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -87.05 -170.31 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 0.769 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' MET . 14.4 m-85 -35.86 101.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 162.4 80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 56.81 164.38 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' TRP . 18.2 Cg_endo -75.02 110.73 3.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 8.7 m95 55.63 170.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -128.58 108.88 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.006 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -75.85 114.07 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 162.57 31.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.5 t-105 -88.51 119.83 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.988 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.59 170.98 7.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.9 t -141.05 125.1 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.83 83.91 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -82.17 128.38 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -96.92 -29.75 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -71.27 -37.59 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -94.23 -28.18 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.5 OUTLIER 65.39 39.04 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.611 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' HG13 ' A' ' 52' ' ' VAL . 22.1 mt-30 -132.54 162.96 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -106.4 107.09 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 6.3 mtm180 -106.42 131.08 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 46.8 p90 -143.36 140.66 30.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.3 m-85 -123.67 158.21 32.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.1 -28.21 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.69 160.55 41.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 106.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 mtm 68.2 74.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' THR . 35.9 t0 -92.46 167.65 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -36.82 -54.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 47' ' ' THR . 1.7 mt-10 -151.56 155.89 39.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 30.9 p -65.43 141.12 58.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 2.5 mmpt? -116.31 91.34 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.81 146.99 21.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t -139.97 150.39 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.49 96.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.43 106.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mt -61.46 -25.75 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.91 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 85' ' ' THR . 56.7 mm-40 -87.92 -25.23 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 73.7 t -57.93 130.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.8 mt-10 -93.9 -28.11 16.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 168.13 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.42 153.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -143.82 144.54 27.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 119.06 5.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.6 -162.46 33.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.2 p -121.24 147.66 47.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 p -94.95 -172.58 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.33 119.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.31 -45.34 1.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -46.93 162.59 0.26 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 -171.92 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 74' ' ' VAL . 9.0 mttp -119.8 -40.66 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.468 HG21 ' CD ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.74 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 9.1 p -97.28 159.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.27 151.19 33.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.8 pt-20 -44.25 -36.95 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -50.08 71.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.74 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -50.64 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 67.8 m-85 -31.46 127.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -148.7 130.25 14.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -89.64 143.0 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.34 115.29 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG2' HG22 ' A' ' 88' ' ' VAL . 21.4 mttt -87.91 118.75 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -122.39 -175.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 57' ' ' GLU . 16.8 p -77.19 -35.14 56.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -70.7 -76.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 4.5 ptp180 -150.96 171.66 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -81.98 140.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.585 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 25.3 m-85 -114.51 165.33 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -127.02 96.43 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CE2' ' CB ' ' A' ' 89' ' ' TYR . 62.3 m-85 -115.11 155.21 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.544 ' O ' HD23 ' A' ' 14' ' ' LEU . 30.9 p -161.2 148.77 15.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.21 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -112.72 29.61 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.6 t0 -177.62 160.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.639 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.2 t -75.18 -44.62 4.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.05 -16.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 m -86.61 -34.3 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB2' ' HB1' ' A' ' 78' ' ' ALA . . . -71.94 -51.14 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -46.72 -38.28 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -65.75 -37.45 86.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 52.2 m95 -62.87 -55.25 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 54.5 t -52.48 -66.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -40.34 -46.96 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -59.18 -64.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 mt -51.3 -55.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' CD ' HD11 ' A' ' 110' ' ' LEU . 2.7 mm-40 -55.44 -28.57 55.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.3 t -79.93 -5.73 56.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 1.8 m -140.09 63.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD11 ' CD ' ' A' ' 107' ' ' GLN . 97.7 mt -95.51 -108.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.66 133.33 55.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.8 t -70.22 -55.18 9.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.75 157.14 23.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.4 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 t -109.36 139.49 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.53 165.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.57 163.27 34.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.98 161.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.62 -66.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 164.56 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -160.75 132.88 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.84 -22.19 36.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.08 140.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.37 -73.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.63 ' CD1' ' NH2' ' A' ' 105' ' ' ARG . 29.6 t80 -125.79 148.65 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' GLU . 1.1 pm0 -138.13 164.62 28.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 159.88 124.7 0.75 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mm -39.92 138.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 102' ' ' TRP . 5.0 mt -146.37 118.81 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 27.0 m-85 -84.85 166.76 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttmt -144.7 155.42 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 10.2 tttm -82.81 145.71 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.72 -172.54 12.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.17 -162.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.82 51.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.28 89.26 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt 74.48 164.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.4 11.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.1 m0 -52.1 117.98 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.23 136.61 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -90.79 121.03 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -121.85 158.17 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ3' ' HD2' ' A' ' 44' ' ' ARG . 57.8 t-105 -88.57 123.34 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.1 m-85 -111.5 165.26 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.2 t -140.31 121.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.52 83.15 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' CD ' ' A' ' 39' ' ' ARG . 28.7 m-20 -79.96 115.12 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -35.36 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 p -70.9 -34.36 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -95.51 -7.95 36.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 p80 42.85 38.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -130.3 167.08 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -113.42 104.19 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -100.7 119.79 39.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 33.8 p90 -128.43 149.23 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 3.8 m-85 -135.72 169.83 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -41.84 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -119.17 137.9 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 6.4 ttp180 -55.02 -21.0 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -41.07 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -40.5 122.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -96.4 -15.73 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.29 122.82 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.7 p -82.45 134.04 35.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -107.87 91.23 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 40' ' ' TYR . . . 71.33 123.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.26 158.64 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 38' ' ' LEU . 2.5 mt -117.9 100.66 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.37 111.95 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 36.9 mt -62.63 -25.84 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -10.7 46.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' THR . 24.6 mm-40 -98.42 -19.96 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 78.7 t -64.98 132.31 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.4 mt-10 -91.03 -29.58 17.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.6 168.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -132.7 146.15 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -135.53 142.9 42.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.98 125.57 9.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.7 -127.15 5.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -164.35 166.76 11.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.2 Cg_endo -75.05 91.89 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 p -73.22 -173.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -75.13 125.94 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' O ' ' NE1' ' A' ' 24' ' ' TRP . . . 98.4 27.18 8.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -96.34 169.44 8.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.99 152.68 41.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 42.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.0 p -141.52 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 93' ' ' ALA . 45.0 t -46.57 157.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -105.95 173.32 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.48 -25.16 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HB2' HG22 ' A' ' 96' ' ' VAL . 22.3 mtmt -97.46 52.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.42 -47.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 74' ' ' VAL . 91.6 m-85 -48.31 133.7 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 27.1 p90 -148.31 128.7 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.03 133.97 34.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.49 112.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -88.01 124.52 33.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.11 -174.61 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 57' ' ' GLU . 69.3 p -78.7 -50.15 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -69.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -160.81 164.67 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.77 135.71 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -107.35 157.28 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.52 97.33 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 17.6 m-85 -114.7 162.64 16.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.8 p -165.64 135.37 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -76.39 -170.72 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -18.01 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.0 m-20 -131.84 -179.89 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -77.83 -48.28 2.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -30.36 7.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 m -62.44 -30.17 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -75.47 -52.23 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -47.38 -42.57 22.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.85 -37.49 82.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.5 m95 -67.9 -42.57 80.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.16 -61.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.89 -43.14 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' NH2' ' CD1' ' A' ' 10' ' ' TYR . 26.2 mtt-85 -61.55 -70.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.98 -45.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.431 ' HA ' HD21 ' A' ' 110' ' ' LEU . 23.7 mt-30 -60.36 -27.32 67.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' ARG . 9.1 t -70.69 -10.78 60.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 76.62 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 107' ' ' GLN . 95.8 mt -98.72 -105.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.97 155.38 23.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.4 p -118.68 129.49 55.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -179.78 28.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.47 41.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.8 164.01 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.8 t -176.93 157.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.25 139.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 t -158.0 130.62 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.26 -120.5 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.99 94.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.69 86.75 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -157.69 8.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.22 100.48 6.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.64 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 15.9 t80 -99.59 169.94 8.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -159.74 139.09 11.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.474 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -174.08 171.61 44.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.33 145.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 92' ' ' CYS . 14.9 mt -151.89 119.25 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 10.6 m-85 -85.37 135.43 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -115.34 138.23 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 41.9 tttm -67.55 138.54 56.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.43 -127.22 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.62 -175.16 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -90.4 50.99 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtt -162.95 -50.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -88.6 156.38 50.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.42 35.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.2 m0 -64.2 118.0 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.034 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -72.6 129.67 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -91.68 123.2 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -128.85 174.35 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 76.6 t-105 -101.71 108.34 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -90.64 169.93 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 77.0 t -141.9 123.99 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.15 84.78 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -72.47 134.64 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -36.76 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 34' ' ' THR . 31.3 p -60.54 -40.57 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -106.58 -11.06 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.451 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER 57.24 75.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.573 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.486 ' HB3' HG13 ' A' ' 52' ' ' VAL . 31.6 mt-30 -155.85 172.35 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -121.7 104.76 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 93.4 mtt180 -105.17 125.05 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 55.1 p90 -126.02 142.6 51.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 4.0 m-85 -130.1 167.34 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -34.41 61.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' ARG . 44.7 m-70 -124.36 158.6 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.69 -51.37 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.65 102.99 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.3 t70 -111.68 12.92 21.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 9.0 t 37.48 33.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 2.8 tt0 -150.49 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.85 118.5 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.9 mmmm -119.85 92.12 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.37 138.69 10.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t -139.01 149.88 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.64 HD12 HD22 ' A' ' 38' ' ' LEU . 7.2 mt -122.28 95.52 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -53.45 106.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 109' ' ' CYS . 78.9 mt -63.55 -27.26 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.16 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' HG23 ' A' ' 85' ' ' THR . 19.5 mt-10 -99.97 -21.99 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.0 t -61.41 122.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 9.8 mm-40 -84.02 -27.81 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.2 179.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.22 157.33 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -144.32 144.71 26.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.32 -173.28 15.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 p -112.57 155.96 43.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 97.44 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 p -74.67 -177.17 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 mt -67.63 139.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.92 -39.43 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -53.96 164.81 0.88 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.2 Cg_endo -75.04 129.75 12.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.48 57.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -142.09 -65.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 24.8 t -46.77 160.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -99.75 136.84 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 9.9 pt-20 -39.8 -31.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -61.55 -59.61 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -41.09 -57.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 59.1 m-85 -41.62 130.63 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -148.51 131.62 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -94.48 138.57 32.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 84' ' ' THR . 24.5 t -104.71 114.11 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -87.82 121.22 29.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.24 -168.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 57' ' ' GLU . 28.2 p -88.41 -41.64 12.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -62.46 -65.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 5.4 ptp180 -163.68 165.18 23.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.54 141.02 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 87' ' ' ARG . 24.0 m-85 -117.98 164.23 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -132.06 105.5 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.93 165.13 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.627 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.73 160.46 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -114.6 -177.57 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.38 22.75 12.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.99 162.54 2.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.612 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -74.84 -45.92 5.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -17.11 19.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -78.45 -42.43 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -64.16 -51.38 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -46.56 -44.94 18.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.53 -38.94 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.609 ' CD2' HD11 ' A' ' 14' ' ' LEU . 54.8 m95 -64.71 -59.17 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.956 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 77.3 t -52.55 -48.34 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -53.78 -57.36 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.525 ' HD3' HD12 ' A' ' 31' ' ' LEU . 3.6 mtt-85 -55.31 -46.88 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 14.1 mt -62.27 -51.95 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 110' ' ' LEU . 1.5 mm-40 -58.53 -19.66 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.3 -5.54 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 107' ' ' GLN . 41.0 mt -69.38 -128.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -49.06 135.63 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -90.59 128.78 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.2 -155.91 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.99 29.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 169.6 10.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.9 t -147.86 134.23 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 68.23 -67.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' GLY . 2.4 m -144.48 159.98 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.31 58.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -156.37 94.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -173.3 157.08 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.34 70.8 2.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.73 96.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.14 158.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 9.4 t80 -103.51 165.62 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.88 130.92 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -165.95 -173.78 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.441 HG21 ' HG3' ' A' ' 94' ' ' GLN . 4.6 mm -80.42 140.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' ' 102' ' ' TRP . 13.2 mt -151.87 119.33 6.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.734 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 8.1 m-85 -82.46 167.79 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.36 128.87 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 4.2 ttpt -59.9 165.49 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.16 -146.2 18.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.91 178.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' MET . 2.1 m-85 -75.5 -167.28 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' PHE . 2.0 mtp -36.41 -38.04 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 161.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.87 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 16.7 m0 -43.34 143.37 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -80.76 140.82 35.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -104.89 110.93 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -125.75 163.52 22.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 74.3 t-105 -88.83 119.46 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -102.61 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 18.8 t -138.59 126.83 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -103.45 83.93 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -76.44 142.2 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.87 -25.66 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 p -80.03 -34.13 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -99.48 -27.85 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER 64.05 48.97 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.562 ' HB3' HG13 ' A' ' 52' ' ' VAL . 61.4 mt-30 -136.46 157.55 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -105.01 106.34 16.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.7 mtp180 -109.88 127.97 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 44.5 p90 -129.94 129.14 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.452 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 6.6 m-85 -106.7 132.4 52.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -46.68 -36.11 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -134.95 138.74 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -40.32 113.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.2 mtt 62.2 53.07 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' THR . 31.4 t0 -69.46 165.56 20.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -37.54 -54.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' H ' HG23 ' A' ' 47' ' ' THR . 1.8 mt-10 -148.1 162.24 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 28.9 p -68.77 134.88 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 27.7 mmmt -115.57 91.43 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 103.56 148.06 18.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.55 1.157 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 ' HB3' ' A' ' 37' ' ' GLN . 10.8 t -145.9 145.22 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.518 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -127.29 96.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.53 96.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 36' ' ' HIS . 15.8 mt -50.32 -36.04 30.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.08 -21.67 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 85' ' ' THR . 10.5 mm-40 -86.41 -27.05 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 77.8 t -56.28 134.65 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 29.0 mt-10 -96.08 -30.97 13.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.32 176.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.28 150.59 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.42 142.72 43.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.11 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.83 -155.62 15.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -137.33 167.04 22.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 110.399 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.4 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.4 p -108.51 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -63.59 124.99 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.63 -46.13 1.21 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 158.37 0.43 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.68 9.59 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -94.06 -55.99 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' LYS . 27.8 p -37.12 -54.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.619 HG12 ' CE2' ' A' ' 79' ' ' PHE . 95.9 t -58.0 148.12 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 2.4 t0 -109.42 169.18 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -64.63 -30.64 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 96' ' ' VAL . 22.7 mtmt -89.93 56.58 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -156.8 -45.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 74' ' ' VAL . 97.0 m-85 -57.55 138.22 55.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.34 130.04 14.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.484 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -90.76 134.03 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.92 114.38 44.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' HG22 ' A' ' 88' ' ' VAL . 55.7 mttt -84.51 129.92 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -139.05 168.38 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.376 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLU . 32.0 p -61.27 -48.18 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.07 -71.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -162.38 172.12 16.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.484 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 3.8 t -79.02 147.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -122.84 164.56 18.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.8 93.38 3.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -110.75 160.99 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.427 ' O ' HD23 ' A' ' 14' ' ' LEU . 28.5 p -166.34 146.55 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' ' OG ' ' A' ' 98' ' ' SER . . . -86.21 -166.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -102.75 -6.01 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -139.82 164.43 30.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 77' ' ' LYS . 1.5 t -75.87 -46.33 3.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.86 19.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.414 ' OG ' ' HB1' ' A' ' 93' ' ' ALA . 19.0 p -80.24 -41.31 25.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -61.61 -51.31 69.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -46.72 -39.93 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -69.02 -30.54 68.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.627 ' CD2' HD11 ' A' ' 14' ' ' LEU . 30.8 m95 -71.08 -48.18 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.88 -66.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -41.07 -42.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 13.4 mtt-85 -60.94 -67.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.444 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 10.6 mt -53.06 -42.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -56.96 -18.26 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -96.88 -5.27 38.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.7 p -120.48 23.82 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.363 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 60' ' ' ALA . 86.4 mt -62.24 -119.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.6 t -112.14 -59.65 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.7 m 65.53 118.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.47 -142.63 4.85 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -162.39 166.01 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.1 t -176.84 139.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -119.9 120.67 37.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.953 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -142.63 -58.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.49 -155.23 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -118.89 131.94 56.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -150.87 -60.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.53 -87.12 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -127.46 98.11 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 79.46 169.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 12.2 t80 -100.34 154.39 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.7 136.79 26.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.21 164.69 36.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -64.3 140.41 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.5 mt -151.22 119.14 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.957 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 30.9 m-85 -85.76 166.54 16.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -137.43 141.2 41.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.3 tttm -81.78 137.1 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . 115.83 -123.55 5.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 68.95 176.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.44 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttt -37.63 -43.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 160.12 0.86 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.0 m0 -52.72 116.0 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.046 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 144.2 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -109.19 122.68 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -132.54 162.11 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -86.42 117.48 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -100.11 170.8 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -142.93 120.69 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.85 85.12 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -65.95 146.56 54.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -41.66 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 57.0 p -51.35 -44.35 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -115.56 8.46 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 5.4 p80 40.4 78.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.646 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.436 HE21 HG21 ' A' ' 52' ' ' VAL . 9.4 mt-30 -147.85 172.1 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.14 105.85 11.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -102.94 119.68 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 31.1 p90 -128.79 146.58 50.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -134.91 169.01 18.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.2 -43.97 79.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' MET . 29.0 m170 -135.01 174.05 11.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.565 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -41.8 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER 80.65 -69.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.1 t70 63.86 12.34 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ASP . 8.7 t 38.47 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.3 mt-10 -157.97 109.31 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.6 p -94.88 142.94 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 108.349 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 4.2 mmtt -119.96 90.93 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.38 132.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG21 HE21 ' A' ' 37' ' ' GLN . 15.7 m -106.16 167.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.493 HD12 HD22 ' A' ' 38' ' ' LEU . 2.2 mt -123.73 98.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.19 114.88 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.34 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.93 -24.85 20.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.773 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.8 t -59.68 129.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.663 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.0 mm-40 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 165.45 177.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG21 HG22 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -139.99 157.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.42 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 110.15 3.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.98 -170.35 45.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -118.07 161.36 35.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.03 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.1 p -90.76 -172.98 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.56 125.72 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.27 -45.09 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -44.51 166.35 0.12 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -100.17 -51.76 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -43.21 -45.28 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.602 HG12 ' CE2' ' A' ' 79' ' ' PHE . 61.4 t -61.93 152.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.32 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.5 pt-20 -75.23 -30.22 60.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -89.22 46.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.584 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -143.42 -47.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CE2' HG12 ' A' ' 74' ' ' VAL . 96.5 m-85 -53.08 134.65 38.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -147.36 130.52 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -88.46 140.78 29.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.22 104.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.603 ' HG3' HG22 ' A' ' 88' ' ' VAL . 3.7 mptt -82.07 125.69 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.773 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.8 p -130.44 -172.22 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 p -79.84 -38.19 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.33 -74.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -154.22 168.26 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.603 HG22 ' HG3' ' A' ' 83' ' ' LYS . 2.4 t -80.58 138.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -113.62 163.62 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 12.9 m120 -129.47 98.8 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -118.8 159.56 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.2 p -160.76 150.55 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.1 174.93 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 9.75 25.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 160.21 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -74.31 -48.05 5.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -15.75 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -80.82 -35.98 32.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.89 -51.6 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -47.1 -42.15 18.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.12 -36.07 82.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 41.6 m95 -65.93 -62.64 1.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.495 HG22 HG21 ' A' ' 61' ' ' VAL . 74.7 t -46.06 -60.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 26.7 t0 -43.21 -52.85 5.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 13.0 mtt-85 -53.08 -67.26 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.2 mt -48.81 -43.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.448 ' CD ' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.44 -24.84 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -73.27 -5.86 42.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.053 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.78 68.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.448 HD11 ' CD ' ' A' ' 107' ' ' GLN . 56.5 mt -89.06 -106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 157.73 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 m 59.01 169.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.3 178.85 16.42 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.61 4.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.7 p -112.99 171.48 7.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.77 123.04 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.35 112.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 0.797 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 m -110.16 143.88 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.05 -67.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.95 112.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -123.9 126.52 46.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.05 -24.22 10.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -144.41 -173.99 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -169.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 33.2 t80 -99.3 151.46 21.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -142.43 161.36 38.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.49 157.26 9.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' A' ' 94' ' ' GLN . 1.9 mm -59.49 140.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.2 mt -151.06 119.1 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.906 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 26.0 m-85 -83.39 166.9 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -145.53 131.61 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.3 tttm -90.68 154.8 19.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.21 -60.42 0.28 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.56 168.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.2 m-85 -56.6 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 70.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . 3.2 mttt -137.29 177.73 2.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 22' ' ' LYS . 18.2 Cg_endo -75.02 125.57 9.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 2.7 m0 -55.79 136.16 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -82.23 127.69 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.906 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . . . -79.96 121.7 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.73 157.63 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CG ' ' HG2' ' A' ' 44' ' ' ARG . 56.5 t-105 -87.07 113.91 23.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.51 166.91 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 41.4 t -135.24 126.52 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -100.08 85.18 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -66.19 160.39 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -42.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.423 ' H ' HG23 ' A' ' 34' ' ' THR . 48.3 p -50.25 -38.39 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' HIS . 9.9 mttt -124.51 10.07 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 3.9 p80 38.96 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.567 ' NE2' HG21 ' A' ' 52' ' ' VAL . 67.3 mt-30 -144.13 168.35 20.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -118.04 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.6 mtt-85 -100.93 120.01 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 29.4 p90 -128.67 154.45 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -142.1 168.83 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -156.81 154.37 29.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.602 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' HG2' ' CG ' ' A' ' 28' ' ' TRP . 37.4 mtm180 -54.1 -46.82 72.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -95.37 46.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -76.54 148.93 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 48' ' ' GLU . 1.7 t -49.49 -57.19 7.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' H ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -154.2 159.95 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 28.5 p -63.61 160.02 17.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 4.3 mmmt -120.16 91.25 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.5 120.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.567 HG21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m -94.53 147.63 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 4.1 mt -101.06 99.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.37 103.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 38' ' ' LEU . 25.8 mt -56.28 -24.37 42.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.5 65.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -87.41 -26.86 23.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.708 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.7 t -54.89 128.4 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 49.9 mt-10 -85.46 -33.44 21.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.03 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -117.17 156.27 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.27 144.41 23.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -145.45 1.53 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.487 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -140.33 166.83 20.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.401 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.3 Cg_endo -74.98 98.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -83.25 -179.73 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.51 129.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.0 -43.42 1.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . . . -44.76 159.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.89 28.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -66.69 -44.46 81.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -43.13 -59.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' A' ' 79' ' ' PHE . 96.7 t -53.43 154.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.487 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.2 t0 -105.34 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.8 pt-20 -82.0 -32.04 30.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 96' ' ' VAL . 21.1 mtpp -86.45 49.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -145.13 -62.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.492 ' CE2' HG12 ' A' ' 74' ' ' VAL . 98.4 m-85 -43.05 119.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 91' ' ' PHE . 30.1 p90 -129.14 128.81 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -86.45 130.76 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.7 t -105.94 111.85 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -89.75 125.89 35.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.6 p -131.58 -170.02 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.1 p -82.77 -45.87 13.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -58.12 -67.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -161.65 168.16 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.21 140.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -117.12 163.25 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.13 85.48 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 20.8 m-85 -101.42 159.62 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.793 ' O ' HD23 ' A' ' 14' ' ' LEU . 14.4 p -159.59 152.98 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.577 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -92.51 35.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 176.88 163.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -76.18 -46.47 3.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -16.47 20.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 m -82.08 -35.68 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.8 -54.54 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.81 -43.09 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.94 -39.33 89.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.4 m95 -63.54 -60.94 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.059 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.27 -58.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -56.75 4.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -50.02 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.19 -53.88 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 110' ' ' LEU . 1.3 mm-40 -56.08 -23.33 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -7.92 56.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.956 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 70.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 107' ' ' GLN . 82.2 mt -93.17 -108.6 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 p -73.61 114.93 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.2 -62.76 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.43 167.52 17.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m 53.44 102.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.62 126.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.684 ' CD2' ' CD ' ' A' ' 105' ' ' ARG . 11.7 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.476 0.179 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.76 132.38 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.01 171.57 41.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -67.38 140.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD11 ' CE3' ' A' ' 102' ' ' TRP . 7.7 mt -151.39 119.08 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.91 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 52.2 m-85 -89.64 167.56 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -139.11 138.48 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.8 m0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 128.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.91 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -87.98 120.94 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 165.18 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -98.89 105.93 18.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.9 m-30 -90.88 166.78 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' ARG . 10.1 t -137.48 110.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -88.59 83.77 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -78.35 118.28 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -88.16 -25.34 23.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -79.18 -34.32 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 2.5 mmtp -100.27 -13.79 18.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 50.02 51.09 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -139.55 164.38 30.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -112.52 106.85 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.8 mtm180 -110.75 120.35 42.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 52.8 p90 -125.01 130.06 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 8.1 m-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.24 97.24 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -60.04 103.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 69.0 mt -53.55 -25.85 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -10.11 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.24 18.46 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.6 t -98.39 124.95 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.5 mt-10 -77.78 -33.2 52.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.12 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.64 157.6 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.98 144.74 20.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -75.02 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.85 -173.11 49.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -111.5 159.29 33.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 0.799 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.96 121.75 6.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.9 p -102.97 -169.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -74.59 136.86 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.77 -39.2 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.74 166.48 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.99 150.71 38.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -93.81 24.62 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -101.2 -68.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 75' ' ' ASP . 7.5 p -59.22 166.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' N ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -103.42 -171.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.26 -31.35 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -82.72 52.59 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -151.26 -52.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 56.5 m-85 -47.94 131.75 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.18 127.29 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -87.04 143.3 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.1 t -114.51 119.26 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 130.64 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.784 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -136.33 -178.94 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.4 p -70.21 -43.13 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -61.42 -68.0 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -163.77 178.53 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.247 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.84 145.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -124.15 141.82 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -108.78 117.4 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -135.61 159.87 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 26.3 p -163.95 143.11 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -176.59 4.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.57 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.8 t0 174.56 150.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.699 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.3 t -60.93 -46.63 96.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.99 -59.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -39.53 -29.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' PRO . . . -75.09 -53.45 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' PRO . 29.3 mm-40 -47.02 -39.81 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.05 -36.01 82.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 22.7 m95 -63.3 -45.63 90.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.03 -64.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.83 -41.79 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.684 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 9.6 mtt-85 -61.0 -60.25 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.73 -43.66 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -66.33 -26.02 67.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -73.36 -7.2 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.476 0.179 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 19.0 pm0 -141.4 154.2 45.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.02 157.85 14.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -61.37 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 102' ' ' TRP . 9.8 mt -151.17 119.09 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.818 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 28.1 m-85 -86.69 128.02 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -113.75 108.05 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 9.6 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.5 108.83 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -86.03 114.5 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.73 156.43 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.61 131.08 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.662 ' CD2' HD21 ' A' ' 38' ' ' LEU . 2.8 m-30 -114.03 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' ARG . 60.0 t -138.44 127.69 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -101.46 85.16 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 1.8 t0 -67.25 146.03 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -121.0 -41.86 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -51.2 -43.61 61.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 7.6 mttp -117.29 7.83 12.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.8 p-80 40.38 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.5 mt-30 -152.61 169.55 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.27 104.11 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 37.9 mtt180 -107.76 126.57 52.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 40' ' ' TYR . 6.3 p90 -132.32 145.3 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.584 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -135.53 100.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 55.6 t0 -58.32 100.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 37' ' ' GLN . 95.7 mt -53.07 -25.67 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -69.42 -24.15 63.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -80.6 -14.16 58.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 84' ' ' THR . 72.6 t -71.93 127.27 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -89.64 -29.43 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.62 163.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.9 157.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.55 143.97 23.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.96 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.789 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.95 -168.67 22.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.574 1.172 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -119.95 160.7 41.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.0 p -86.14 -179.17 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.28 128.12 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 97.71 24.71 11.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -97.25 162.24 23.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.93 127.13 10.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 56.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -140.1 -58.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 79' ' ' PHE . 11.0 p -75.72 158.27 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.67 -178.69 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -74.58 -30.51 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 96' ' ' VAL . 10.9 mtmm -82.35 52.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.714 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -153.84 -46.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 87.4 m-85 -54.21 131.27 41.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -140.8 130.84 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.67 132.65 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.444 HG12 HG23 ' A' ' 84' ' ' THR . 25.4 t -104.19 112.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.762 ' HG2' HG22 ' A' ' 88' ' ' VAL . 52.3 mttt -90.49 124.36 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.829 HG22 HG22 ' A' ' 58' ' ' VAL . 21.6 p -128.76 -172.16 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 p -73.51 -58.48 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -68.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 84' ' ' THR . 6.5 ptt180 -163.22 173.62 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.762 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.9 t -80.6 144.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 23.6 m-85 -115.84 164.91 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 32.9 m120 -126.62 99.99 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 66.0 m-85 -119.69 157.65 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.34 137.6 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -165.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.01 -17.44 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.1 t0 -129.04 161.28 30.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -71.07 -46.7 14.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.97 19.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -78.99 -37.55 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.714 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.43 -51.44 56.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -46.84 -42.06 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 105' ' ' ARG . 31.9 mt-30 -63.89 -34.42 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 51.7 m95 -68.43 -59.25 3.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.8 t -45.4 -58.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.2 t0 -48.47 -58.62 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 101' ' ' GLN . 18.2 mtt85 -44.36 -60.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.67 -53.75 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -56.49 -17.63 8.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -79.81 -6.55 57.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CG ' ' NE ' ' A' ' 105' ' ' ARG . 5.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -166.61 133.46 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.19 164.94 38.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.95 142.61 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 102' ' ' TRP . 8.8 mt -151.33 119.08 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.919 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 11.3 m-85 -83.82 146.92 27.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -122.15 129.54 52.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.1 tttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.0 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.67 136.9 41.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.38 126.64 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 170.58 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 76.9 t-105 -96.94 115.04 26.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -103.42 170.45 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 t -140.04 137.46 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -115.21 84.43 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 34' ' ' THR . 28.5 t0 -74.24 140.22 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -108.74 -26.34 10.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 48.3 p -77.1 -32.83 56.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -29.46 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 109' ' ' CYS . 0.1 OUTLIER 66.62 55.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.557 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -141.38 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.698 HD22 HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -107.3 111.21 23.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.6 mtt180 -112.09 124.59 52.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 40.3 p90 -127.63 130.87 49.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.698 HD12 HD22 ' A' ' 38' ' ' LEU . 1.4 mt -137.0 98.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -54.04 120.37 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 38' ' ' LEU . 87.3 mt -75.58 -32.57 60.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -15.09 62.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -91.05 -26.53 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 84' ' ' THR . 20.8 t -52.56 117.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.2 mt-10 -74.04 -30.74 62.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.46 165.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -128.29 157.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.47 20.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.04 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.65 179.43 33.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -110.65 155.7 41.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.378 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.96 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 p -95.39 -168.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.75 132.25 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.9 -50.04 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.67 156.47 1.18 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.9 22.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -46.83 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -38.59 -53.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 79' ' ' PHE . 91.6 t -58.61 146.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 150.38 24.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 pt-20 -54.25 -25.99 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -77.49 0.22 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -119.51 28.89 7.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 14.3 m-85 -129.6 116.79 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -134.65 130.65 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -88.52 140.64 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.38 108.61 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 88' ' ' VAL . 49.0 mttt -89.73 122.88 33.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -125.44 -173.14 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -77.71 -31.24 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -74.81 -75.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 7.8 ptt180 -149.37 176.57 10.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -88.66 135.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -113.02 140.81 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.61 101.91 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.4 167.69 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 1.6 p -169.47 133.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -75.81 -178.24 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.77 -23.87 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -123.56 171.57 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -76.01 -48.72 3.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.93 -18.27 19.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -75.04 -38.13 61.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.99 -53.57 25.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -44.97 -45.09 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.11 -42.38 94.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 43.6 m95 -58.95 -58.75 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.83 -59.31 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -44.91 -56.35 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.601 ' NE ' ' CG ' ' A' ' 10' ' ' TYR . 1.9 mtt85 -49.57 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.4 mt -50.79 -56.04 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -53.19 -30.16 36.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' ASP . 8.0 t -76.97 -5.48 48.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 39.4 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.47 0.176 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.89 158.95 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.31 156.2 10.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.95 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 102' ' ' TRP . 7.6 mt -148.69 118.8 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.764 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.1 m-85 -84.47 156.82 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 163.31 21.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.607 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 5.4 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 13.8 m0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 2.2 mmtm -100.47 144.36 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -110.95 125.06 53.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 162.32 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.22 120.67 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -108.32 167.91 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 93.2 t -134.11 135.04 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -107.71 84.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.57 143.66 46.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -120.26 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 50.5 p -52.42 -42.5 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.4 mttt -117.04 6.19 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 40.72 88.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -156.61 168.09 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.37 106.25 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 36.3 mtt180 -110.75 123.8 50.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -124.98 137.19 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -125.44 103.28 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -64.84 113.09 3.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 38' ' ' LEU . 50.6 mt -65.18 -30.72 71.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -13.74 58.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' THR . 14.1 mm-40 -94.07 -21.2 19.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' THR . 56.8 t -60.55 129.07 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.646 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.9 mt-10 -86.79 -32.9 20.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.94 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -134.06 157.67 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.45 144.59 21.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.01 119.78 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' PHE . . . -99.12 -177.74 31.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 p -109.57 159.77 30.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.95 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 p -77.03 -173.28 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.45 136.99 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.64 -39.47 2.82 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -50.11 165.99 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.5 Cg_endo -74.97 143.96 29.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -88.28 47.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -136.71 -51.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 94' ' ' GLN . 58.7 t -66.99 143.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -174.53 4.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.59 -24.29 27.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -91.31 51.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.78 -50.98 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 86.8 m-85 -51.08 125.3 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -137.17 128.98 28.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.1 133.42 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 71.1 t -105.05 115.21 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.466 ' HG2' HG22 ' A' ' 88' ' ' VAL . 36.6 mttt -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -130.47 164.22 25.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 57' ' ' GLU . 39.1 p -57.64 -52.91 63.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 84' ' ' THR . 23.4 ptt180 -166.06 164.2 18.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.7 t -73.88 141.03 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -115.5 165.6 12.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 28.9 m120 -127.06 103.41 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -126.2 157.55 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.557 ' O ' HD23 ' A' ' 14' ' ' LEU . 21.4 p -164.52 145.21 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -84.6 -176.53 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -92.15 -17.8 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -129.74 170.59 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.4 t -74.34 -46.86 5.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -20.64 16.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -73.62 -38.55 65.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -67.58 -52.64 36.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -45.42 -44.63 12.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -57.55 -39.55 76.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.669 ' CD2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -65.02 -60.24 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 108.051 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.4 t -43.72 -61.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.1 t70 -44.63 -63.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 31' ' ' LEU . 5.6 mpt_? -40.51 -67.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.68 -53.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -53.52 -24.67 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ASP . 5.0 t -75.29 -8.69 57.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.499 0.19 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.54 143.44 49.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.79 149.9 10.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -49.97 138.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.4 mt -150.99 118.76 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.836 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 36.1 m-85 -82.51 157.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 26.6 ttpt -142.16 107.08 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.6 tttm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -68.54 125.38 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.836 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.62 125.36 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -135.48 160.38 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -84.76 125.21 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 107.969 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -110.01 169.63 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 66.2 t -138.35 125.84 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -103.47 85.08 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.17 158.26 36.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -125.58 -43.4 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -47.67 -45.54 28.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 22.6 mttt -117.42 0.52 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.6 p-80 45.23 88.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' N ' HD12 ' A' ' 55' ' ' LEU . 91.5 mt-30 -151.51 163.83 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.58 106.93 15.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HG2' HG22 ' A' ' 52' ' ' VAL . 8.8 mtp180 -113.89 123.5 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 54.1 p90 -123.8 135.33 53.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 39' ' ' ARG . 14.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -122.4 102.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.648 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 51.3 t0 -60.42 105.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HA ' HG23 ' A' ' 58' ' ' VAL . 93.3 mt -58.77 -28.07 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.648 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -67.69 -23.02 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 85' ' ' THR . 94.7 mt-10 -82.62 -14.57 54.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.752 HG22 ' CG2' ' A' ' 84' ' ' THR . 98.4 t -65.84 140.61 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.6 mt-10 -104.21 -31.17 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.233 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.05 164.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -131.67 157.78 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -145.28 143.85 21.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.05 -174.03 46.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -113.94 159.44 36.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.6 p -106.18 -167.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.8 133.77 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.77 -36.44 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.45 158.69 3.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HG2' HG12 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -102.54 -40.8 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -39.05 -65.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.606 HG21 ' O ' ' A' ' 93' ' ' ALA . 12.6 p -64.06 150.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.31 -164.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.88 -28.62 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 96' ' ' VAL . 20.2 mtpp -85.7 48.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -146.97 -47.19 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 73.7 m-85 -52.23 128.76 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -142.28 131.04 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -90.18 131.72 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.1 t -104.21 112.45 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.744 ' HG2' HG22 ' A' ' 88' ' ' VAL . 50.6 mttt -90.14 126.12 35.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.752 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 p -132.46 160.2 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 57' ' ' GLU . 73.2 p -50.28 -46.56 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.79 -72.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -155.76 -169.92 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.744 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -102.1 147.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -122.32 161.59 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.62 79.66 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.95 162.01 13.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.3 p -165.96 140.3 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.606 ' O ' HG21 ' A' ' 74' ' ' VAL . . . -84.3 -175.85 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -15.38 20.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.47 159.99 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -73.12 -47.49 7.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.9 m -82.29 -35.28 28.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -66.81 -51.02 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -47.31 -37.14 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 105' ' ' ARG . 23.1 mt-30 -66.8 -34.81 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 57.4 m95 -68.04 -54.22 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.37 -62.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' SER . 14.2 t70 -43.07 -60.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 101' ' ' GLN . 5.1 mpt_? -42.69 -70.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.87 -47.85 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -23.39 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -76.35 -7.05 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.492 0.187 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -120.45 141.61 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.24 166.55 37.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.1 mm -67.42 138.87 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' CD2' ' A' ' 102' ' ' TRP . 12.4 mt -151.09 119.14 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.997 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -82.32 164.56 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -148.25 130.79 15.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.1 tttt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.4 m0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -68.89 133.6 48.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.997 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -98.62 122.35 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -132.01 162.35 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -81.43 127.51 32.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.039 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.739 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -109.85 171.4 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.6 138.45 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -114.2 84.69 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 35.2 t0 -75.86 141.42 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -109.19 -35.66 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 49.6 p -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 4.3 mmtt -104.68 -12.4 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 49.95 58.33 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -138.86 164.7 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.739 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.38 109.32 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.67 121.52 44.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -127.93 148.8 50.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.561 HD12 HD22 ' A' ' 38' ' ' LEU . 3.0 mt -106.76 96.29 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.68 106.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 38' ' ' LEU . 19.9 mt -60.11 -16.41 31.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.94 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.05 -25.47 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' CG2' ' A' ' 84' ' ' THR . 43.1 t -55.22 124.2 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.67 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.4 mm-40 -80.44 -31.36 37.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.38 160.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -123.39 156.02 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.58 144.43 22.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 89.32 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.557 1.82 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 -174.04 41.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -115.29 160.23 35.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.99 136.85 20.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -114.29 -179.13 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.6 114.3 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.42 -38.79 1.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.53 165.05 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.1 Cg_endo -74.99 140.66 25.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -82.89 52.21 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -141.8 -50.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 75' ' ' ASP . 50.1 t -62.97 164.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -115.03 149.92 36.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -52.73 -20.2 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -91.28 31.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -151.63 22.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 27.4 m-85 -119.38 107.97 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.42 ' CD2' HG23 ' A' ' 82' ' ' VAL . 30.6 p90 -121.2 130.11 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.57 116.66 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG23 ' CD2' ' A' ' 80' ' ' PHE . 41.9 t -90.78 106.61 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -81.24 129.35 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.761 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -136.22 173.21 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 p -65.56 -51.84 56.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -162.77 -170.24 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.22 132.86 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 19.1 m-85 -105.95 150.13 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.76 81.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 39.5 m-85 -98.95 158.44 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.8 p -164.3 139.88 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -81.74 174.56 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.0 -18.09 31.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -129.68 163.44 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -70.46 -47.42 18.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 -18.43 18.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 m -76.59 -36.2 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.68 -53.39 28.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -44.69 -43.19 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -61.74 -46.46 89.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.766 ' CD2' HD11 ' A' ' 14' ' ' LEU . 63.0 m95 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 63.9 t -44.77 -65.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 32.5 t0 -39.74 -59.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.61 -69.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 55' ' ' LEU . 12.9 mt -48.22 -55.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -32.6 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 4.4 t -64.43 -11.81 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 13.3 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.524 0.202 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -168.85 136.95 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.82 167.21 39.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.04 140.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 7.4 mt -150.96 118.98 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.3 m-85 -86.67 159.08 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 7.7 ttmt -136.53 140.38 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 20.9 tttm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -83.57 136.85 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -81.57 134.2 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.61 161.3 37.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -94.83 115.59 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.898 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -100.53 167.64 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.4 t -140.86 116.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -95.16 84.38 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.59 131.24 37.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -30.21 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -72.23 -36.4 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 12.1 mmtt -105.18 -6.9 19.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.7 p-80 45.09 67.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.3 pt20 -152.12 155.23 37.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.898 HD21 ' CD2' ' A' ' 29' ' ' PHE . 3.8 tt -108.2 99.57 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' VAL . 11.0 mtm180 -100.32 127.45 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -122.95 139.69 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 20.3 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.693 HD12 HD22 ' A' ' 38' ' ' LEU . 1.6 mt -123.04 105.06 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.623 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 63.3 t0 -62.24 104.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 37' ' ' GLN . 31.2 mt -62.78 -22.01 66.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.623 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -72.84 -6.2 43.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 85' ' ' THR . 31.0 mt-10 -101.91 -12.27 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' A' ' 84' ' ' THR . 49.8 t -64.98 123.4 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 47.2 mt-10 -81.95 -29.53 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.35 162.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -127.77 155.5 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.02 143.7 29.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.55 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.89 -172.68 47.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.11 161.4 33.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.2 p -112.09 -175.73 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.63 135.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.95 -40.38 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HA ' ' CD1' ' A' ' 24' ' ' TRP . . . -43.25 160.79 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.62 19.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' HG23 ' A' ' 73' ' ' THR . 0.1 OUTLIER -82.7 65.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 72' ' ' LYS . 34.7 p -151.18 -60.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 4.5 p -66.28 153.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.0 -167.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.06 -28.88 22.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -84.24 50.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.54 -46.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 76.6 m-85 -55.34 124.95 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -137.67 128.52 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.68 134.04 34.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.14 109.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG3' HG22 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -84.75 120.36 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.636 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -124.39 -174.58 3.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 57' ' ' GLU . 18.8 p -78.83 -48.15 15.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 84' ' ' THR . 13.8 ptp180 -158.94 169.49 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HG3' ' A' ' 83' ' ' LYS . 3.1 t -78.12 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.83 153.48 32.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -116.68 97.63 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 21.6 m-85 -117.48 159.83 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.7 137.41 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -77.15 -168.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -25.1 14.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -126.5 176.09 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -78.38 -49.08 1.84 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 -30.46 60.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -74.44 -48.15 29.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.56 -36.97 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.38 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.617 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 50.7 m95 -71.4 -50.5 31.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.4 t -50.02 -61.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -50.1 9.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.66 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.55 -50.05 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -54.4 -25.91 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -75.99 -6.52 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 27.1 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.459 0.171 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.29 131.93 16.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -170.99 170.23 43.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.644 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.4 mm -68.95 139.38 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 102' ' ' TRP . 14.3 mt -151.37 119.56 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 9.4 m-85 -84.66 156.82 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -131.61 122.13 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tttm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLY . 16.8 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -79.35 117.45 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.45 114.47 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -141.43 164.01 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.0 t-105 -81.76 121.64 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -103.3 169.38 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 92.4 t -139.83 134.84 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -104.65 85.04 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 1.1 t70 -73.6 136.66 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -39.53 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -54.92 -41.38 70.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -107.46 -18.19 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.7 OUTLIER 65.14 73.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.578 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -151.48 168.42 24.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.685 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 83.8 mtt180 -104.26 127.29 51.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -128.06 140.38 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 6.8 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 HD22 ' A' ' 38' ' ' LEU . 1.1 mt -139.41 98.48 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.26 116.21 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 HD22 ' A' ' 31' ' ' LEU . 57.9 mt -68.4 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -15.94 58.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 85' ' ' THR . 65.7 mt-10 -88.43 -26.45 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.777 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.1 t -61.75 128.52 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.0 mt-10 -90.15 -31.73 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.08 177.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -140.17 157.67 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.31 144.42 21.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.97 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.56 -167.26 41.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 p -123.17 158.19 58.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.0 135.17 18.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 p -127.55 -153.48 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.96 159.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 39.75 54.22 2.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.922 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -83.49 -174.53 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.922 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.97 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' C ' ' CG2' ' A' ' 73' ' ' THR . 5.1 mmtt -73.24 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 72' ' ' LYS . 5.5 p -152.86 76.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 78' ' ' ALA . 70.8 t -106.22 149.65 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.57 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -81.25 123.75 28.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 5.5 pt-20 -36.7 -34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.2 mtpt -62.29 -55.9 23.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -40.0 -61.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 86.0 m-85 -33.72 138.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 40.3 p90 -159.44 124.82 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -84.53 131.53 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.4 t -104.57 104.72 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HG2' HG22 ' A' ' 88' ' ' VAL . 17.9 mttt -77.0 127.35 32.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.777 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -130.75 -173.88 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLU . 21.3 p -79.79 -41.35 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -64.67 -70.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 84' ' ' THR . 34.2 ptt-85 -158.29 161.84 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.471 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -70.38 138.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -111.07 165.37 11.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.406 ' ND2' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -132.13 89.46 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 23.0 m-85 -109.33 158.06 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.662 ' O ' HD23 ' A' ' 14' ' ' LEU . 13.8 p -156.85 155.17 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -99.67 170.34 8.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.644 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -84.31 -0.27 51.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.85 166.34 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -75.5 -47.4 4.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -17.38 19.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 m -78.3 -39.98 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -68.27 -51.22 47.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -46.26 -43.9 16.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.73 -42.02 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.714 ' CD2' HD11 ' A' ' 14' ' ' LEU . 47.9 m95 -59.62 -57.59 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.1 -61.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -55.15 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 108' ' ' SER . 9.1 mtt-85 -53.62 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.95 -49.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.0 -29.73 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -82.75 -5.65 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 3.4 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 21.2 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.472 0.177 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 pm0 -146.57 163.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.62 151.45 6.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.9 mm -57.96 144.12 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.605 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.2 mt -151.2 119.03 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 6.6 m-85 -81.95 167.33 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -145.3 120.34 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.7 tttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.5 m0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 20.7 tptm -83.85 149.84 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 25' ' ' LYS . . . -106.29 120.12 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -121.42 162.32 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.8 t-105 -96.42 104.77 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.973 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -89.57 170.86 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ARG . 14.8 t -145.16 114.23 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -89.92 83.79 6.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -80.16 128.2 33.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -96.71 -36.1 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.9 p -70.65 -30.31 66.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.78 -30.62 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.92 39.84 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.637 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -136.79 163.42 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.973 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.5 103.23 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 4.2 mtt180 -100.59 122.54 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 34.7 p90 -130.4 144.59 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.7 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' A' ' 39' ' ' ARG . 2.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -136.61 101.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.96 120.86 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.24 -26.95 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.79 -8.62 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 85' ' ' THR . 68.0 mt-10 -98.58 -23.34 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.3 t -58.3 128.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 56.5 mt-10 -90.33 -31.12 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.97 175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.27 157.64 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -144.82 144.25 23.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.97 120.91 6.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.81 -173.67 27.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -113.32 160.85 29.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.99 115.56 4.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.9 p -98.04 -174.49 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.432 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.81 136.23 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.61 -40.02 2.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.594 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -47.83 165.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.95 175.69 10.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -102.3 -46.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.504 HG11 ' SG ' ' A' ' 92' ' ' CYS . 94.6 t -61.87 154.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -160.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.31 -30.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 96' ' ' VAL . 24.0 mtpp -84.61 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.73 -47.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.594 ' HZ ' ' HB1' ' A' ' 70' ' ' ALA . 52.3 m-85 -49.47 127.53 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -145.16 130.34 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.53 135.45 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' A' ' 91' ' ' PHE . 47.9 t -105.38 115.06 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 88' ' ' VAL . 57.0 mttt -92.69 134.98 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.533 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.2 p -138.2 -170.92 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -79.48 -41.31 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -72.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 9.7 ptt180 -154.59 175.86 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 83' ' ' LYS . 3.2 t -83.99 144.53 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.07 161.93 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -130.75 93.09 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.428 ' HD2' HG21 ' A' ' 82' ' ' VAL . 18.7 m-85 -104.47 167.01 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.6 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -152.95 160.19 43.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.97 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.49 34.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.19 164.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.05 -46.26 3.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 -17.11 19.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 m -78.48 -35.32 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.933 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -69.34 -53.1 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -46.32 -45.97 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.19 -35.96 80.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CD2' HD11 ' A' ' 14' ' ' LEU . 22.7 m95 -66.53 -51.84 52.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.42 -56.21 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -45.21 -46.52 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -61.39 -61.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.42 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 13.7 mt -51.44 -50.46 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -59.35 -14.85 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 t -96.97 -5.17 38.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 106' ' ' ILE . 1.8 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.508 0.194 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -155.7 152.58 28.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.21 165.48 33.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.472 HG21 ' HG3' ' A' ' 94' ' ' GLN . 2.6 mm -66.41 140.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 92' ' ' CYS . 12.1 mt -151.24 119.12 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.854 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 m-85 -85.68 148.75 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.88 119.34 30.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.563 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 17.9 tttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.4 m0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -76.73 128.88 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -93.56 123.52 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.68 162.75 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -88.55 120.04 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.668 ' CD2' HD21 ' A' ' 38' ' ' LEU . 4.0 m-30 -104.67 170.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 75.0 t -135.05 146.64 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.18 84.65 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -70.11 148.54 48.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 2.4 ptpt -122.59 -41.41 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 34' ' ' THR . 54.2 p -51.64 -44.28 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 17.5 mttt -115.65 0.17 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.4 p-80 47.36 85.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 73.2 mt-30 -153.82 155.95 36.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 53' ' ' ILE . 2.4 tt -109.03 103.15 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -108.03 133.33 52.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.39 132.08 50.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 38' ' ' LEU . 2.0 mt -128.11 101.26 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 48.3 t0 -57.05 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 37' ' ' GLN . 36.5 mt -57.44 -21.19 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -71.44 -15.32 62.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.9 -14.34 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.625 HG22 ' CG2' ' A' ' 84' ' ' THR . 38.1 t -61.61 122.17 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -78.44 -33.1 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.18 157.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -119.33 149.92 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . . . -140.75 144.28 35.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.47 -172.52 24.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -108.03 158.24 34.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.439 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.809 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -73.96 179.23 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.48 131.66 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.8 -41.22 2.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.2 164.56 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -35.16 68.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -47.31 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 92' ' ' CYS . 62.5 t -51.26 145.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.08 155.4 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.68 -20.92 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -91.38 30.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -149.09 20.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 16.8 m-85 -117.0 110.71 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' ALA . 28.4 p90 -125.66 127.74 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.63 120.34 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.5 t -91.06 107.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HG2' HG22 ' A' ' 88' ' ' VAL . 2.0 mttm -84.86 130.31 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -132.93 -171.75 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 p -77.71 -42.64 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -160.08 -175.76 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -93.83 134.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -106.64 160.38 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.89 92.23 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -112.07 158.22 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.731 ' HB2' HG11 ' A' ' 74' ' ' VAL . 7.9 p -158.66 137.91 11.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.86 177.99 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.02 13.86 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.44 159.49 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -69.78 -47.58 23.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.03 -15.8 20.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -80.43 -30.03 37.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.66 -51.93 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -47.17 -40.1 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.452 ' O ' ' NE ' ' A' ' 105' ' ' ARG . 23.0 mt-30 -63.56 -39.63 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 48.3 m95 -64.19 -60.19 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' TRP . 75.3 t -40.39 -63.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -43.94 -65.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -39.77 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' CYS . 40.1 mt -47.69 -56.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.04 -26.09 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -79.11 -18.93 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 106' ' ' ILE . 86.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 108.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 1.6 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.29 122.13 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.572 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -164.34 162.19 35.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' NE2' ' A' ' 94' ' ' GLN . 4.0 mm -59.01 141.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.5 mt -151.23 118.93 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 54.4 m-85 -90.39 155.48 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 1.8 ttmt -133.28 154.83 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.7 tttm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.1 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -79.05 146.78 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -108.91 126.4 53.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -140.55 159.55 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.3 t-105 -85.63 124.5 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.956 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.927 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-30 -107.4 167.51 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -140.05 124.43 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.2 92.85 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 152.15 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -42.32 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.417 ' H ' HG23 ' A' ' 34' ' ' THR . 44.3 p -50.7 -33.82 24.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.6 mttt -129.9 8.78 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 38.58 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -148.77 167.02 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -118.01 108.33 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 52' ' ' VAL . 46.7 mtt85 -108.73 119.95 41.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -130.4 147.66 52.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 HD22 ' A' ' 38' ' ' LEU . 6.1 mt -118.52 97.09 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.33 101.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 38' ' ' LEU . 19.5 mt -58.22 -19.92 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.18 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.728 ' OE1' HG21 ' A' ' 85' ' ' THR . 60.6 mm-40 -88.74 -17.68 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.566 HG22 ' CG2' ' A' ' 84' ' ' THR . 42.8 t -60.45 121.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 51.8 mt-10 -80.02 -29.64 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.47 167.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.39 157.42 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -147.54 145.09 20.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.02 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.67 -167.45 32.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.67 157.76 47.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.95 152.44 41.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.563 1.823 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -133.56 -165.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.4 mt -74.8 135.57 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.65 -46.13 1.27 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.66 156.09 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.95 28.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.26 -37.62 74.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -39.03 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.65 156.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.08 179.91 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.4 pt-20 -65.2 -36.9 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 96' ' ' VAL . 16.6 mtmt -78.39 54.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -157.98 -45.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 92' ' ' CYS . 81.8 m-85 -58.53 119.7 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -127.28 129.34 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -87.13 138.2 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.4 t -109.52 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 88' ' ' VAL . 29.6 mttt -84.89 127.16 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.566 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -128.0 -169.39 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.728 HG21 ' OE1' ' A' ' 57' ' ' GLU . 7.2 p -84.82 -47.28 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 87' ' ' ARG . 14.2 ptm180 -59.67 -47.39 85.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -170.4 -152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -122.9 141.61 42.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 53' ' ' ILE . 14.6 m-85 -118.23 146.01 44.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -115.04 98.44 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 16' ' ' LYS . 23.1 m-85 -110.59 160.09 16.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 23.5 p -162.3 141.1 9.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 108.322 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -83.28 -169.42 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.59 -15.85 22.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.8 t0 -134.41 169.03 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.73 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -76.22 -47.43 3.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.97 -17.88 19.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 t -79.2 -34.83 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -67.73 -50.77 55.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -48.25 -44.02 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.37 -33.3 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.54 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 37.7 m95 -72.03 -62.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -45.81 -51.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -49.35 -43.18 43.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 mtt85 -65.27 -56.8 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.415 HG23 HD22 ' A' ' 55' ' ' LEU . 8.5 mt -55.22 -47.25 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -25.12 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -6.42 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 76.0 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.528 0.204 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 9.5 pt-20 -152.73 178.24 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 163.64 12.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG21 ' OE1' ' A' ' 94' ' ' GLN . 2.3 mm -68.88 139.57 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 16.3 mt -151.56 119.6 6.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.872 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m-85 -88.77 167.83 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -144.24 123.51 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 13.2 m0 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 131.38 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.872 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -138.64 163.07 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -89.81 114.83 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.011 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.878 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -97.91 171.68 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.7 t -140.58 134.44 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.42 83.66 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.69 125.23 30.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.39 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 p -73.21 -36.45 66.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 11.2 mmtt -96.75 -13.78 22.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.9 p-80 50.07 47.86 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.648 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.616 ' NE2' HG21 ' A' ' 52' ' ' VAL . 4.2 mt-30 -139.77 161.63 37.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.878 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -107.97 105.94 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.682 ' NH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -102.58 123.07 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . 10.8 p90 -134.46 144.25 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.682 HG11 ' NH2' ' A' ' 39' ' ' ARG . 15.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -129.0 99.69 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.843 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 13.0 t70 -62.01 105.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 38' ' ' LEU . 30.4 mt -57.17 -25.07 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.843 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -68.68 -12.05 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 85' ' ' THR . 14.9 mm-40 -97.82 -18.76 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 84' ' ' THR . 89.4 t -68.99 136.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.4 mt-10 -95.87 -29.73 14.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.03 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -135.32 157.56 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.91 144.55 20.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 130.99 13.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.46 -166.21 17.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 p -114.33 158.62 39.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 105.17 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -84.84 -175.59 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.67 139.51 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 -38.02 3.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -55.2 160.14 3.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 168.62 24.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -94.27 -40.86 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -40.77 -58.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 75' ' ' ASP . 9.4 p -61.12 164.55 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.522 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.4 t0 -114.2 -178.86 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -78.62 -29.96 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.626 ' HB2' HG22 ' A' ' 96' ' ' VAL . 43.2 mtpt -84.86 50.25 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -146.28 -57.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 75.5 m-85 -40.43 132.57 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -146.68 127.11 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -88.0 138.38 31.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.478 HG12 HG23 ' A' ' 84' ' ' THR . 25.6 t -109.05 115.33 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -86.71 118.68 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.843 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -127.02 176.75 7.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -69.66 -50.2 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -158.94 159.59 35.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.33 138.58 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -113.91 128.24 56.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.94 87.47 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -98.13 167.3 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.459 ' SG ' ' CE3' ' A' ' 24' ' ' TRP . 5.7 p -175.47 133.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.53 -143.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' OE1' HG21 ' A' ' 13' ' ' ILE . 14.8 pt20 -135.95 24.46 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 98' ' ' SER . 0.2 OUTLIER -156.51 159.29 38.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 77' ' ' LYS . 1.2 t -76.05 -47.1 3.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.07 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.42 ' HB2' ' CB ' ' A' ' 95' ' ' ASP . 52.6 m -43.54 -36.31 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 102' ' ' TRP . . . -69.99 -54.31 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -45.02 -38.91 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.63 -37.01 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 14' ' ' LEU . 79.8 m95 -64.61 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.33 -64.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' SER . 19.3 t0 -43.9 -61.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 6.6 mtt85 -44.67 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 mt -45.28 -54.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -52.23 -28.19 17.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -72.64 -17.75 61.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.251 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 22.7 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.5 0.191 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.86 150.74 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 165.01 31.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.55 143.84 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 12.5 mt -151.43 118.99 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.902 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.2 m-85 -86.72 156.15 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 5.9 tttp -123.1 165.81 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 40.2 tttm . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.1 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -74.25 138.1 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.902 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -103.5 109.63 21.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -123.44 162.66 22.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 74.9 t-105 -85.73 122.7 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.4 m-30 -107.09 168.81 8.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.9 t -137.11 134.0 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.36 84.78 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 33.8 t0 -75.16 147.19 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -108.28 -37.07 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -72.4 -29.44 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.1 mmtt -105.94 -18.0 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.7 p-80 48.47 53.66 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -132.82 170.28 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.12 105.46 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' OH ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -109.19 123.57 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 55.0 p90 -122.97 135.37 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.44 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 17.6 m-85 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 39' ' ' ARG . 3.1 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.638 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -136.78 99.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -57.25 104.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 38' ' ' LEU . 70.1 mt -58.92 -25.28 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -17.29 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' HB3' HG23 ' A' ' 85' ' ' THR . 70.7 mt-10 -90.27 -17.81 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.7 t -64.38 122.51 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 48.6 mt-10 -79.91 -31.62 40.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.19 161.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -124.69 155.07 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.18 144.33 31.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.19 179.75 38.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 p -104.86 156.58 35.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.417 1.746 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -82.82 -178.89 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.69 132.94 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -35.31 5.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -60.41 164.9 6.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.06 127.78 10.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -66.33 -48.33 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LYS . 29.7 p -37.3 -55.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.711 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 49.0 t -60.9 152.65 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -103.73 154.51 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 8.8 pt-20 -51.68 -28.59 15.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.759 ' HB2' HG22 ' A' ' 96' ' ' VAL . 9.7 mtpt -66.81 -9.55 38.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.711 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . . . -111.66 32.76 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 17.0 m-85 -131.62 109.28 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -136.22 128.38 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' ' ND2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -87.12 141.89 28.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.61 110.84 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -88.11 122.26 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.685 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.45 -168.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 57' ' ' GLU . 43.0 p -83.01 -43.84 15.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -60.26 -67.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -159.3 -173.52 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.05 131.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -111.48 126.63 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.43 ' ND2' ' OD2' ' A' ' 81' ' ' ASP . 26.6 m120 -102.11 100.23 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -109.56 173.24 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' ALA . 1.1 p -172.53 133.21 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.356 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.46 -173.4 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -28.11 13.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 154.12 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.759 HG22 ' HB2' ' A' ' 77' ' ' LYS . 2.1 t -73.45 -45.55 7.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.0 -15.44 20.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 m -79.71 -34.66 39.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.84 -54.64 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -43.99 -37.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -72.34 -36.93 68.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.9 m95 -63.27 -50.73 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 -63.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.8 -42.72 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 10.1 mtt-85 -60.96 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.02 -47.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -32.88 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ASP . 28.8 t -68.72 -8.33 41.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' ' HD3' ' A' ' 105' ' ' ARG . 18.7 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.53 0.205 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -155.81 126.12 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.3 176.76 36.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.3 mm -72.77 142.03 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 92' ' ' CYS . 7.5 mt -151.62 119.5 6.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.893 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -86.48 154.36 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -125.97 128.59 47.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 7.2 ttpt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.641 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 12.4 m0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -104.94 143.39 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.34 125.17 41.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.56 159.94 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -95.41 118.42 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.722 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.8 m-30 -103.79 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -136.67 121.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.74 82.74 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -79.01 128.48 33.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -32.78 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 p -67.57 -38.66 84.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 8.5 mmtt -97.86 -7.11 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 7.1 p-80 44.4 42.66 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 54' ' ' ASP . 4.4 mt-30 -131.22 171.59 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.722 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -115.22 106.75 14.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -102.2 120.22 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -132.92 138.71 47.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -110.88 98.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -62.09 105.57 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.74 -20.13 32.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.0 65.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -91.76 -22.82 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' A' ' 84' ' ' THR . 53.2 t -58.72 127.14 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt-10 -92.65 -29.43 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.67 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -133.27 156.13 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.64 145.81 24.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.5 Cg_endo -74.95 119.52 5.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' THR . . . -110.9 97.63 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.975 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -37.16 155.42 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.975 ' HD2' HG22 ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.0 p -112.91 -168.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -76.85 117.06 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -29.8 6.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.22 165.72 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.02 131.08 13.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 10.9 mptt -64.29 -54.61 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' LYS . 31.8 p -36.75 -54.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.57 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.23 156.63 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.27 -17.86 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 96' ' ' VAL . 5.9 mtmm -92.23 29.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.49 20.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 8.2 m-85 -110.35 118.24 35.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -140.78 133.14 28.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -100.11 147.15 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 84' ' ' THR . 25.3 t -107.19 113.53 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -87.5 107.96 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.694 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -114.93 -177.07 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p -75.84 -47.56 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -56.62 -64.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -167.5 162.4 14.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.7 t -73.64 140.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -116.68 160.57 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 8.0 m120 -121.92 117.15 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 90' ' ' ASN . 22.3 m-85 -136.43 158.64 43.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.635 ' O ' HD23 ' A' ' 14' ' ' LEU . 29.9 p -161.94 143.75 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.96 178.87 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.63 22.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.23 164.08 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -75.94 -47.02 3.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.02 -16.53 20.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -79.37 -36.11 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.36 -53.64 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -45.07 -42.98 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.1 m95 -66.87 -54.72 19.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -52.82 -64.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.8 t0 -41.64 -50.3 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD3' ' CB ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -52.6 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.3 mt -51.31 -44.71 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -23.95 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -77.42 -5.77 51.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 43.5 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.539 0.209 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -151.3 -174.95 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.02 145.41 4.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -55.5 141.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.0 mt -150.66 119.04 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.006 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 63.1 m-85 -89.21 144.93 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -129.32 115.62 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 7.5 tttt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 8.7 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -128.58 108.88 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.006 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -75.85 114.07 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 162.57 31.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.5 t-105 -88.51 119.83 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.988 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.59 170.98 7.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.9 t -141.05 125.1 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.83 83.91 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -82.17 128.38 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -96.92 -29.75 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -71.27 -37.59 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -94.23 -28.18 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.5 OUTLIER 65.39 39.04 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.611 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' HG13 ' A' ' 52' ' ' VAL . 22.1 mt-30 -132.54 162.96 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -106.4 107.09 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 6.3 mtm180 -106.42 131.08 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 46.8 p90 -143.36 140.66 30.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.49 96.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.43 106.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mt -61.46 -25.75 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.91 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 85' ' ' THR . 56.7 mm-40 -87.92 -25.23 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 73.7 t -57.93 130.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.8 mt-10 -93.9 -28.11 16.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 168.13 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.42 153.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -143.82 144.54 27.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 119.06 5.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.6 -162.46 33.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.2 p -121.24 147.66 47.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 p -94.95 -172.58 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.33 119.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.31 -45.34 1.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -46.93 162.59 0.26 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 -171.92 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 74' ' ' VAL . 9.0 mttp -119.8 -40.66 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.468 HG21 ' CD ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.74 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 9.1 p -97.28 159.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.27 151.19 33.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.8 pt-20 -44.25 -36.95 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -50.08 71.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.74 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -50.64 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 67.8 m-85 -31.46 127.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -148.7 130.25 14.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -89.64 143.0 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.34 115.29 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG2' HG22 ' A' ' 88' ' ' VAL . 21.4 mttt -87.91 118.75 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -122.39 -175.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 57' ' ' GLU . 16.8 p -77.19 -35.14 56.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -70.7 -76.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 4.5 ptp180 -150.96 171.66 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -81.98 140.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.585 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 25.3 m-85 -114.51 165.33 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -127.02 96.43 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CE2' ' CB ' ' A' ' 89' ' ' TYR . 62.3 m-85 -115.11 155.21 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.544 ' O ' HD23 ' A' ' 14' ' ' LEU . 30.9 p -161.2 148.77 15.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.21 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 73' ' ' THR . 1.6 mt-30 -112.72 29.61 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.6 t0 -177.62 160.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.639 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.2 t -75.18 -44.62 4.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.05 -16.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 m -86.61 -34.3 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB2' ' HB1' ' A' ' 78' ' ' ALA . . . -71.94 -51.14 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -46.72 -38.28 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -65.75 -37.45 86.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 52.2 m95 -62.87 -55.25 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 54.5 t -52.48 -66.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -40.34 -46.96 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -59.18 -64.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 mt -51.3 -55.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -55.44 -28.57 55.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.3 t -79.93 -5.73 56.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 1.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.342 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.63 ' CD1' ' NH2' ' A' ' 105' ' ' ARG . 29.6 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 1.1 pm0 -138.13 164.62 28.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 159.88 124.7 0.75 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mm -39.92 138.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 102' ' ' TRP . 5.0 mt -146.37 118.81 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 27.0 m-85 -84.85 166.76 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttmt -144.7 155.42 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 10.2 tttm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.1 m0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.23 136.61 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -90.79 121.03 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -121.85 158.17 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.41 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 57.8 t-105 -88.57 123.34 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.1 m-85 -111.5 165.26 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.2 t -140.31 121.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.52 83.15 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' CD ' ' A' ' 39' ' ' ARG . 28.7 m-20 -79.96 115.12 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -35.36 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 p -70.9 -34.36 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 1.7 mmmt -95.51 -7.95 36.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 3.5 p-80 42.85 38.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -130.3 167.08 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -113.42 104.19 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -100.7 119.79 39.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 33.8 p90 -128.43 149.23 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.8 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 38' ' ' LEU . 2.5 mt -117.9 100.66 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.37 111.95 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 36.9 mt -62.63 -25.84 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -10.7 46.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' THR . 24.6 mm-40 -98.42 -19.96 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 78.7 t -64.98 132.31 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.4 mt-10 -91.03 -29.58 17.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.6 168.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -132.7 146.15 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -135.53 142.9 42.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.98 125.57 9.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.7 -127.15 5.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -164.35 166.76 11.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.2 Cg_endo -75.05 91.89 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 p -73.22 -173.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -75.13 125.94 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' O ' ' NE1' ' A' ' 24' ' ' TRP . . . 98.4 27.18 8.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -96.34 169.44 8.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.99 152.68 41.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 42.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.0 p -141.52 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 93' ' ' ALA . 45.0 t -46.57 157.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -105.95 173.32 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.48 -25.16 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HB2' HG22 ' A' ' 96' ' ' VAL . 22.3 mtmt -97.46 52.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.42 -47.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 74' ' ' VAL . 91.6 m-85 -48.31 133.7 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 27.1 p90 -148.31 128.7 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.03 133.97 34.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.49 112.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -88.01 124.52 33.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.11 -174.61 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 57' ' ' GLU . 69.3 p -78.7 -50.15 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -69.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -160.81 164.67 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.77 135.71 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -107.35 157.28 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.52 97.33 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 17.6 m-85 -114.7 162.64 16.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.8 p -165.64 135.37 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -76.39 -170.72 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -18.01 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.0 m-20 -131.84 -179.89 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -77.83 -48.28 2.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -30.36 7.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 m -62.44 -30.17 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -75.47 -52.23 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -47.38 -42.57 22.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.85 -37.49 82.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.5 m95 -67.9 -42.57 80.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.16 -61.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.89 -43.14 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.63 ' NH2' ' CD1' ' A' ' 10' ' ' TYR . 26.2 mtt-85 -61.55 -70.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.98 -45.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.36 -27.32 67.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' ARG . 9.1 t -70.69 -10.78 60.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 15.9 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.532 0.206 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -159.74 139.09 11.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.474 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -174.08 171.61 44.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.33 145.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 92' ' ' CYS . 14.9 mt -151.89 119.25 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 10.6 m-85 -85.37 135.43 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -115.34 138.23 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 41.9 tttm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.2 m0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -72.6 129.67 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -91.68 123.2 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -128.85 174.35 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 76.6 t-105 -101.71 108.34 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -90.64 169.93 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 77.0 t -141.9 123.99 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.15 84.78 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -72.47 134.64 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -36.76 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 34' ' ' THR . 31.3 p -60.54 -40.57 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -106.58 -11.06 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.451 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER 57.24 75.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.573 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.486 ' HB3' HG13 ' A' ' 52' ' ' VAL . 31.6 mt-30 -155.85 172.35 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -121.7 104.76 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 93.4 mtt180 -105.17 125.05 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -126.02 142.6 51.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 4.0 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.64 HD12 HD22 ' A' ' 38' ' ' LEU . 7.2 mt -122.28 95.52 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -53.45 106.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 109' ' ' CYS . 78.9 mt -63.55 -27.26 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.16 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' HG23 ' A' ' 85' ' ' THR . 19.5 mt-10 -99.97 -21.99 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.0 t -61.41 122.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 9.8 mm-40 -84.02 -27.81 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.2 179.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.22 157.33 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -144.32 144.71 26.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.32 -173.28 15.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 p -112.57 155.96 43.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 97.44 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 p -74.67 -177.17 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 mt -67.63 139.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.92 -39.43 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -53.96 164.81 0.88 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.2 Cg_endo -75.04 129.75 12.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.48 57.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -142.09 -65.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 24.8 t -46.77 160.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -99.75 136.84 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 9.9 pt-20 -39.8 -31.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -61.55 -59.61 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -41.09 -57.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 59.1 m-85 -41.62 130.63 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -148.51 131.62 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -94.48 138.57 32.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 84' ' ' THR . 24.5 t -104.71 114.11 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -87.82 121.22 29.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.24 -168.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 57' ' ' GLU . 28.2 p -88.41 -41.64 12.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -62.46 -65.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 5.4 ptp180 -163.68 165.18 23.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.54 141.02 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 87' ' ' ARG . 24.0 m-85 -117.98 164.23 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -132.06 105.5 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.93 165.13 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.627 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.73 160.46 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -114.6 -177.57 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.38 22.75 12.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.99 162.54 2.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.612 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -74.84 -45.92 5.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -17.11 19.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -78.45 -42.43 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -64.16 -51.38 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -46.56 -44.94 18.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.53 -38.94 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.609 ' CD2' HD11 ' A' ' 14' ' ' LEU . 54.8 m95 -64.71 -59.17 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.956 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 77.3 t -52.55 -48.34 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -53.78 -57.36 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.525 ' HD3' HD12 ' A' ' 31' ' ' LEU . 3.6 mtt-85 -55.31 -46.88 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 14.1 mt -62.27 -51.95 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 103' ' ' VAL . 1.5 mm-40 -58.53 -19.66 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.3 -5.54 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 9.4 t80 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.476 0.179 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.88 130.92 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -165.95 -173.78 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.441 HG21 ' HG3' ' A' ' 94' ' ' GLN . 4.6 mm -80.42 140.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' ' 102' ' ' TRP . 13.2 mt -151.87 119.33 6.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.734 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 8.1 m-85 -82.46 167.79 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.36 128.87 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 4.2 ttpt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 16.7 m0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -80.76 140.82 35.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -104.89 110.93 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 163.52 22.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 74.3 t-105 -88.83 119.46 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -102.61 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 18.8 t -138.59 126.83 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -103.45 83.93 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -76.44 142.2 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.87 -25.66 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 p -80.03 -34.13 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -99.48 -27.85 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER 64.05 48.97 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.562 ' HB3' HG13 ' A' ' 52' ' ' VAL . 61.4 mt-30 -136.46 157.55 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -105.01 106.34 16.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.7 mtp180 -109.88 127.97 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' TRP . 44.5 p90 -129.94 129.14 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 6.6 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 ' HB3' ' A' ' 37' ' ' GLN . 10.8 t . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.518 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -127.29 96.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.53 96.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 36' ' ' HIS . 15.8 mt -50.32 -36.04 30.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.08 -21.67 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 85' ' ' THR . 10.5 mm-40 -86.41 -27.05 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 77.8 t -56.28 134.65 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 29.0 mt-10 -96.08 -30.97 13.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.32 176.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.28 150.59 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.42 142.72 43.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.11 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.83 -155.62 15.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -137.33 167.04 22.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 110.399 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.4 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.4 p -108.51 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -63.59 124.99 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.63 -46.13 1.21 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 158.37 0.43 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.68 9.59 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -94.06 -55.99 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' LYS . 27.8 p -37.12 -54.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.619 HG12 ' CE2' ' A' ' 79' ' ' PHE . 95.9 t -58.0 148.12 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 2.4 t0 -109.42 169.18 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -64.63 -30.64 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 96' ' ' VAL . 22.7 mtmt -89.93 56.58 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -156.8 -45.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 74' ' ' VAL . 97.0 m-85 -57.55 138.22 55.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.34 130.04 14.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.484 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -90.76 134.03 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.92 114.38 44.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' HG22 ' A' ' 88' ' ' VAL . 55.7 mttt -84.51 129.92 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -139.05 168.38 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.376 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLU . 32.0 p -61.27 -48.18 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.07 -71.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -162.38 172.12 16.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.484 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 3.8 t -79.02 147.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -122.84 164.56 18.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.8 93.38 3.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -110.75 160.99 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.427 ' O ' HD23 ' A' ' 14' ' ' LEU . 28.5 p -166.34 146.55 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' ' OG ' ' A' ' 98' ' ' SER . . . -86.21 -166.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -102.75 -6.01 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -139.82 164.43 30.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 77' ' ' LYS . 1.5 t -75.87 -46.33 3.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.86 19.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.414 ' OG ' ' HB1' ' A' ' 93' ' ' ALA . 19.0 p -80.24 -41.31 25.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -61.61 -51.31 69.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -46.72 -39.93 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -69.02 -30.54 68.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.627 ' CD2' HD11 ' A' ' 14' ' ' LEU . 30.8 m95 -71.08 -48.18 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.88 -66.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -41.07 -42.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 13.4 mtt-85 -60.94 -67.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.444 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 10.6 mt -53.06 -42.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -18.26 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -96.88 -5.27 38.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.7 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.363 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 12.2 t80 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.471 0.176 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.7 136.79 26.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.21 164.69 36.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -64.3 140.41 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.5 mt -151.22 119.14 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.957 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 30.9 m-85 -85.76 166.54 16.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -137.43 141.2 41.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.3 tttm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.0 m0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 144.2 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -109.19 122.68 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -132.54 162.11 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -86.42 117.48 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -100.11 170.8 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -142.93 120.69 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.85 85.12 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -65.95 146.56 54.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -41.66 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 57.0 p -51.35 -44.35 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.8 mttm -115.56 8.46 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.9 p-80 40.4 78.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.646 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.436 HE21 HG21 ' A' ' 52' ' ' VAL . 9.4 mt-30 -147.85 172.1 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.14 105.85 11.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -102.94 119.68 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -128.79 146.58 50.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG21 HE21 ' A' ' 37' ' ' GLN . 15.7 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.493 HD12 HD22 ' A' ' 38' ' ' LEU . 2.2 mt -123.73 98.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.19 114.88 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.34 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.93 -24.85 20.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.773 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.8 t -59.68 129.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.663 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.0 mm-40 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 165.45 177.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG21 HG22 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -139.99 157.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.42 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 110.15 3.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.98 -170.35 45.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -118.07 161.36 35.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.03 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.1 p -90.76 -172.98 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.56 125.72 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.27 -45.09 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -44.51 166.35 0.12 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -100.17 -51.76 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -43.21 -45.28 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.602 HG12 ' CE2' ' A' ' 79' ' ' PHE . 61.4 t -61.93 152.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.32 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.5 pt-20 -75.23 -30.22 60.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -89.22 46.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.584 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -143.42 -47.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CE2' HG12 ' A' ' 74' ' ' VAL . 96.5 m-85 -53.08 134.65 38.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -147.36 130.52 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -88.46 140.78 29.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.22 104.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.603 ' HG3' HG22 ' A' ' 88' ' ' VAL . 3.7 mptt -82.07 125.69 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.773 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.8 p -130.44 -172.22 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 p -79.84 -38.19 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.33 -74.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -154.22 168.26 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.603 HG22 ' HG3' ' A' ' 83' ' ' LYS . 2.4 t -80.58 138.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -113.62 163.62 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 12.9 m120 -129.47 98.8 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -118.8 159.56 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.2 p -160.76 150.55 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.1 174.93 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 9.75 25.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 160.21 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -74.31 -48.05 5.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -15.75 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -80.82 -35.98 32.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.89 -51.6 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -47.1 -42.15 18.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.12 -36.07 82.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 41.6 m95 -65.93 -62.64 1.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.495 HG22 HG21 ' A' ' 61' ' ' VAL . 74.7 t -46.06 -60.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 26.7 t0 -43.21 -52.85 5.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 13.0 mtt-85 -53.08 -67.26 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.2 mt -48.81 -43.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.44 -24.84 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -73.27 -5.86 42.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.053 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 33.2 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.482 0.182 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -142.43 161.36 38.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.49 157.26 9.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' A' ' 94' ' ' GLN . 1.9 mm -59.49 140.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.2 mt -151.06 119.1 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.906 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 26.0 m-85 -83.39 166.9 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -145.53 131.61 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.3 tttm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 2.7 m0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -82.23 127.69 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.906 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . . . -79.96 121.7 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.73 157.63 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -87.07 113.91 23.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.51 166.91 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 41.4 t -135.24 126.52 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -100.08 85.18 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -66.19 160.39 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -42.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.423 ' H ' HG23 ' A' ' 34' ' ' THR . 48.3 p -50.25 -38.39 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.9 mttt -124.51 10.07 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.5 p-80 38.96 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.567 ' NE2' HG21 ' A' ' 52' ' ' VAL . 67.3 mt-30 -144.13 168.35 20.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -118.04 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.6 mtt-85 -100.93 120.01 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -128.67 154.45 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.567 HG21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 4.1 mt -101.06 99.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.37 103.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 38' ' ' LEU . 25.8 mt -56.28 -24.37 42.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.5 65.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -87.41 -26.86 23.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.708 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.7 t -54.89 128.4 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 49.9 mt-10 -85.46 -33.44 21.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.03 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -117.17 156.27 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.27 144.41 23.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -145.45 1.53 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.487 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -140.33 166.83 20.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.401 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.3 Cg_endo -74.98 98.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -83.25 -179.73 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.51 129.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.0 -43.42 1.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . . . -44.76 159.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.89 28.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -66.69 -44.46 81.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -43.13 -59.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' A' ' 79' ' ' PHE . 96.7 t -53.43 154.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.487 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.2 t0 -105.34 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.8 pt-20 -82.0 -32.04 30.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 96' ' ' VAL . 21.1 mtpp -86.45 49.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -145.13 -62.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.492 ' CE2' HG12 ' A' ' 74' ' ' VAL . 98.4 m-85 -43.05 119.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 91' ' ' PHE . 30.1 p90 -129.14 128.81 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -86.45 130.76 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.7 t -105.94 111.85 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -89.75 125.89 35.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.6 p -131.58 -170.02 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.1 p -82.77 -45.87 13.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -58.12 -67.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -161.65 168.16 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.21 140.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -117.12 163.25 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.13 85.48 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 20.8 m-85 -101.42 159.62 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.793 ' O ' HD23 ' A' ' 14' ' ' LEU . 14.4 p -159.59 152.98 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.577 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -92.51 35.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 176.88 163.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -76.18 -46.47 3.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -16.47 20.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 m -82.08 -35.68 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.8 -54.54 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.81 -43.09 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.94 -39.33 89.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.4 m95 -63.54 -60.94 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.059 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.27 -58.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -56.75 4.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -50.02 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.19 -53.88 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -56.08 -23.33 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -7.92 56.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.956 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.315 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 72.14 -60.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -41.5 122.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.84 158.0 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 54.61 174.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.84 -149.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 12.13 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 m -151.37 -166.5 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.684 ' CD2' ' CD ' ' A' ' 105' ' ' ARG . 11.7 t80 -111.38 163.14 14.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.76 132.38 4.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.01 171.57 41.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.423 1.077 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -67.38 140.42 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD11 ' CE3' ' A' ' 102' ' ' TRP . 7.7 mt -151.39 119.08 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.91 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 52.2 m-85 -89.64 167.56 12.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -139.11 138.48 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -44.34 146.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -82.04 -61.43 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 66.88 10.97 8.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.88 172.24 12.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -53.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -71.35 157.88 89.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.08 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.8 m0 -56.91 158.07 5.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.052 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 128.86 56.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.91 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -87.98 120.94 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 165.18 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -98.89 105.93 18.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.9 m-30 -90.88 166.78 12.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' ARG . 10.1 t -137.48 110.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -88.59 83.77 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -78.35 118.28 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -88.16 -25.34 23.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.4 p -79.18 -34.32 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.426 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 2.5 mmtp -100.27 -13.79 18.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 50.02 51.09 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.577 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -139.55 164.38 30.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -112.52 106.85 15.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.8 mtm180 -110.75 120.35 42.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 52.8 p90 -125.01 130.06 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 8.1 m-85 -109.45 140.42 43.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.02 -40.19 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -132.3 146.07 51.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.78 109.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 tpp 69.69 72.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' THR . 8.4 t0 -95.7 165.75 12.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -37.79 -53.88 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 47' ' ' THR . 2.6 mt-10 -148.19 166.41 27.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 p -71.77 142.83 49.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -120.28 91.77 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.78 145.09 17.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.19 147.43 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.24 97.24 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -60.04 103.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 69.0 mt -53.55 -25.85 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -10.11 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -108.24 18.46 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.6 t -98.39 124.95 51.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.5 mt-10 -77.78 -33.2 52.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.12 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.64 157.6 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.98 144.74 20.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -75.02 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.85 -173.11 49.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -111.5 159.29 33.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 0.799 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.96 121.75 6.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.9 p -102.97 -169.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.41 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mt -74.59 136.86 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.77 -39.2 2.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.74 166.48 0.46 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.99 150.71 38.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -93.81 24.62 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -101.2 -68.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 75' ' ' ASP . 7.5 p -59.22 166.07 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' N ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -103.42 -171.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.26 -31.35 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -82.72 52.59 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -151.26 -52.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 56.5 m-85 -47.94 131.75 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.18 127.29 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -87.04 143.3 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.1 t -114.51 119.26 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 130.64 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.784 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -136.33 -178.94 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.4 p -70.21 -43.13 71.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -61.42 -68.0 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -163.77 178.53 7.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.247 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.84 145.04 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -124.15 141.82 51.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -108.78 117.4 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -135.61 159.87 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 26.3 p -163.95 143.11 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -176.59 4.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.57 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.8 t0 174.56 150.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.699 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.3 t -60.93 -46.63 96.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.99 -59.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -39.53 -29.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' PRO . . . -75.09 -53.45 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 97' ' ' PRO . 29.3 mm-40 -47.02 -39.81 13.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.05 -36.01 82.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 22.7 m95 -63.3 -45.63 90.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.03 -64.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.83 -41.79 2.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.684 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 9.6 mtt-85 -61.0 -60.25 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.73 -43.66 84.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' CD ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm-40 -66.33 -26.02 67.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -73.36 -7.2 50.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 67.97 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD11 ' CD ' ' A' ' 107' ' ' GLN . 47.9 mt -86.62 -105.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -123.84 147.32 47.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.1 m -73.13 128.18 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.48 -145.48 6.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -98.64 171.49 8.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.1 m 62.14 111.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.8 104.13 16.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.34 107.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.97 162.34 18.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t 176.06 -59.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' CB ' ' OE2' ' A' ' 11' ' ' GLU . 16.7 m -69.54 168.7 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.043 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.81 -130.51 0.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -98.36 18.55 16.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.9 -165.73 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.74 152.29 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 19.0 pm0 -141.4 154.2 45.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.02 157.85 14.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -61.37 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 102' ' ' TRP . 9.8 mt -151.17 119.09 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.818 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 28.1 m-85 -86.69 128.02 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -113.75 108.05 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -45.27 157.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.98 -54.23 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.6 165.94 32.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 22' ' ' LYS . 29.9 m-85 -60.18 146.01 44.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.0 mtp 68.89 -60.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' PHE . 22.7 mttt -43.23 161.38 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.21 14.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.797 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 9.6 m0 -96.37 148.74 22.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.5 108.83 18.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -86.03 114.5 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.73 156.43 45.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -73.61 131.08 41.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.662 ' CD2' HD21 ' A' ' 38' ' ' LEU . 2.8 m-30 -114.03 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' ARG . 60.0 t -138.44 127.69 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -101.46 85.16 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 1.8 t0 -67.25 146.03 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -121.0 -41.86 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -51.2 -43.61 61.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 7.6 mttp -117.29 7.83 12.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.8 p-80 40.38 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.5 mt-30 -152.61 169.55 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.27 104.11 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 37.9 mtt180 -107.76 126.57 52.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CZ ' ' HA3' ' A' ' 51' ' ' GLY . 6.3 p90 -132.32 145.3 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -136.31 169.38 17.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -15.81 57.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -119.82 147.86 44.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.617 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -47.85 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 ptm -131.64 59.18 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -55.39 166.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.6 t -98.62 -34.43 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -100.0 136.02 40.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.8 m -88.29 112.74 23.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -120.43 93.45 4.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 52' ' ' VAL . . . 115.07 140.23 7.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 51' ' ' GLY . 5.3 t -155.2 147.31 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.584 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -135.53 100.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 55.6 t0 -58.32 100.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 37' ' ' GLN . 95.7 mt -53.07 -25.67 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -69.42 -24.15 63.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -80.6 -14.16 58.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.829 HG22 HG22 ' A' ' 84' ' ' THR . 72.6 t -71.93 127.27 33.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -89.64 -29.43 18.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.62 163.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.9 157.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.55 143.97 23.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.96 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.789 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.95 -168.67 22.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.574 1.172 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -119.95 160.7 41.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 105.98 2.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.0 p -86.14 -179.17 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.28 128.12 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 97.71 24.71 11.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -97.25 162.24 23.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.93 127.13 10.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 56.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -140.1 -58.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.552 HG13 ' CE1' ' A' ' 79' ' ' PHE . 11.0 p -75.72 158.27 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.67 -178.69 4.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -74.58 -30.51 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 96' ' ' VAL . 10.9 mtmm -82.35 52.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.714 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -153.84 -46.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 87.4 m-85 -54.21 131.27 41.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -140.8 130.84 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.67 132.65 36.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.444 HG12 HG23 ' A' ' 84' ' ' THR . 25.4 t -104.19 112.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.762 ' HG2' HG22 ' A' ' 88' ' ' VAL . 52.3 mttt -90.49 124.36 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.829 HG22 HG22 ' A' ' 58' ' ' VAL . 21.6 p -128.76 -172.16 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.2 p -73.51 -58.48 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -68.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 84' ' ' THR . 6.5 ptt180 -163.22 173.62 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.762 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.9 t -80.6 144.91 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 23.6 m-85 -115.84 164.91 13.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 32.9 m120 -126.62 99.99 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 66.0 m-85 -119.69 157.65 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.34 137.6 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.05 -165.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.01 -17.44 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.1 t0 -129.04 161.28 30.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -71.07 -46.7 14.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.97 19.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -78.99 -37.55 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.714 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.43 -51.44 56.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -46.84 -42.06 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 105' ' ' ARG . 31.9 mt-30 -63.89 -34.42 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 51.7 m95 -68.43 -59.25 3.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.8 t -45.4 -58.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.2 t0 -48.47 -58.62 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 101' ' ' GLN . 18.2 mtt85 -44.36 -60.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mt -56.67 -53.75 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.635 ' CD ' HD11 ' A' ' 110' ' ' LEU . 1.6 mm-40 -56.49 -17.63 8.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -79.81 -6.55 57.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.46 65.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.635 HD11 ' CD ' ' A' ' 107' ' ' GLN . 55.5 mt -84.7 -106.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.95 -53.38 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m -155.05 165.6 36.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.95 -145.78 11.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 116.71 4.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -59.72 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m 58.75 108.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -141.17 143.92 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 p -89.86 -38.83 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.22 99.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -75.66 -54.96 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -52.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.61 -127.4 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.01 130.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -118.79 -161.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CG ' ' NE ' ' A' ' 105' ' ' ARG . 5.5 t80 -106.92 166.88 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -166.61 133.46 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.19 164.94 38.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mm -66.95 142.61 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 102' ' ' TRP . 8.8 mt -151.33 119.08 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.919 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 11.3 m-85 -83.82 146.92 27.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -122.15 129.54 52.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.1 tttt -52.32 131.94 33.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.62 64.03 0.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.9 -175.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 21' ' ' MET . 5.8 m-85 -90.43 176.85 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.4 ttm 76.92 -69.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -79.68 158.99 72.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 176.41 9.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.0 m0 -83.27 155.69 23.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 108.054 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.67 136.9 41.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.38 126.64 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 170.58 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 76.9 t-105 -96.94 115.04 26.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -103.42 170.45 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 t -140.04 137.46 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -115.21 84.43 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 34' ' ' THR . 28.5 t0 -74.24 140.22 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -108.74 -26.34 10.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 48.3 p -77.1 -32.83 56.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.409 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -29.46 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 109' ' ' CYS . 0.1 OUTLIER 66.62 55.43 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.557 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -141.38 161.46 37.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.698 HD22 HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -107.3 111.21 23.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.6 mtt180 -112.09 124.59 52.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 40.3 p90 -127.63 130.87 49.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 49' ' ' CYS . 10.4 m-85 -106.65 139.08 41.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -44.55 -33.7 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -135.03 168.0 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.61 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -54.87 10.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.36 108.51 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -126.41 160.68 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.635 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -39.93 -62.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.635 ' H ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -141.71 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.264 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 30.1 p -70.69 145.48 50.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 3.5 mtpt -118.36 91.05 3.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CE1' ' A' ' 40' ' ' TYR . . . 107.23 160.6 21.47 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t -150.78 151.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.698 HD12 HD22 ' A' ' 38' ' ' LEU . 1.4 mt -137.0 98.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -54.04 120.37 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 38' ' ' LEU . 87.3 mt -75.58 -32.57 60.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -15.09 62.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -91.05 -26.53 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 84' ' ' THR . 20.8 t -52.56 117.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.2 mt-10 -74.04 -30.74 62.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.46 165.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -128.29 157.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.47 20.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.04 89.12 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.65 179.43 33.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -110.65 155.7 41.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.378 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.96 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.4 p -95.39 -168.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.75 132.25 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.9 -50.04 0.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.67 156.47 1.18 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.9 22.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -46.83 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 59.9 p -38.59 -53.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 79' ' ' PHE . 91.6 t -58.61 146.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 150.38 24.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 pt-20 -54.25 -25.99 26.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -77.49 0.22 23.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -119.51 28.89 7.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 14.3 m-85 -129.6 116.79 19.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -134.65 130.65 36.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -88.52 140.64 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -110.38 108.61 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 88' ' ' VAL . 49.0 mttt -89.73 122.88 33.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -125.44 -173.14 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.9 p -77.71 -31.24 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -74.81 -75.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' O ' ' OG1' ' A' ' 84' ' ' THR . 7.8 ptt180 -149.37 176.57 10.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -88.66 135.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -113.02 140.81 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -107.61 101.91 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.4 167.69 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 1.6 p -169.47 133.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -75.81 -178.24 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.77 -23.87 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -123.56 171.57 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -76.01 -48.72 3.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.93 -18.27 19.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -75.04 -38.13 61.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.99 -53.57 25.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -44.97 -45.09 10.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -60.11 -42.38 94.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 43.6 m95 -58.95 -58.75 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.83 -59.31 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -44.91 -56.35 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.601 ' NE ' ' CG ' ' A' ' 10' ' ' TYR . 1.9 mtt85 -49.57 -64.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.4 mt -50.79 -56.04 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' HA ' HD11 ' A' ' 110' ' ' LEU . 3.7 mm-40 -53.19 -30.16 36.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' ASP . 8.0 t -76.97 -5.48 48.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 39.4 m -89.07 -63.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -33.79 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 156.8 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.24 154.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 163.61 -145.27 10.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.14 4.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m 43.82 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.5 p -134.42 -57.99 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 m -133.65 170.11 16.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -150.81 100.44 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.88 -102.06 0.22 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p 58.35 169.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -93.81 111.84 23.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.13 178.12 15.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.14 17.94 14.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -141.76 -169.21 2.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -114.82 111.65 21.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.89 158.95 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.31 156.2 10.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.95 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 102' ' ' TRP . 7.6 mt -148.69 118.8 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.764 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.1 m-85 -84.47 156.82 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 163.31 21.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.607 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 5.4 ttpt -112.51 146.08 39.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.11 117.89 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -165.72 -171.5 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' LYS . 29.0 m-85 -82.41 86.2 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 69.1 -58.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' PHE . 3.8 mmmt -41.03 160.75 0.13 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 13.8 m0 -52.26 145.73 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 107.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 2.2 mmtm -100.47 144.36 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -110.95 125.06 53.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 162.32 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -86.22 120.67 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -108.32 167.91 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 93.2 t -134.11 135.04 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -107.71 84.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.57 143.66 46.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -120.26 -40.76 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 50.5 p -52.42 -42.5 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.4 mttt -117.04 6.19 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 40.72 88.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.564 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -156.61 168.09 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.37 106.25 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' VAL . 36.3 mtt180 -110.75 123.8 50.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 47.2 p90 -124.98 137.19 54.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 8.6 m-85 -126.52 164.56 20.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.56 -39.86 57.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 157.33 35.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -50.84 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -82.52 52.71 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.65 159.86 21.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -130.44 45.75 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.12 113.96 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -91.71 127.04 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.264 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.5 mtmm -119.81 91.52 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.92 143.46 14.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.24 147.98 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -125.44 103.28 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -64.84 113.09 3.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 38' ' ' LEU . 50.6 mt -65.18 -30.72 71.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -13.74 58.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' THR . 14.1 mm-40 -94.07 -21.2 19.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.808 HG22 ' CG2' ' A' ' 84' ' ' THR . 56.8 t -60.55 129.07 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.646 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.9 mt-10 -86.79 -32.9 20.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.94 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -134.06 157.67 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -146.45 144.59 21.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.01 119.78 5.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' PHE . . . -99.12 -177.74 31.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 p -109.57 159.77 30.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.95 91.85 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 p -77.03 -173.28 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.45 136.99 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.64 -39.47 2.82 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -50.11 165.99 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.5 Cg_endo -74.97 143.96 29.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -88.28 47.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -136.71 -51.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 94' ' ' GLN . 58.7 t -66.99 143.77 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -174.53 4.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.59 -24.29 27.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -91.31 51.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.78 -50.98 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 86.8 m-85 -51.08 125.3 13.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -137.17 128.98 28.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.1 133.42 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 71.1 t -105.05 115.21 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.466 ' HG2' HG22 ' A' ' 88' ' ' VAL . 36.6 mttt -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -130.47 164.22 25.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 57' ' ' GLU . 39.1 p -57.64 -52.91 63.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 84' ' ' THR . 23.4 ptt180 -166.06 164.2 18.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.466 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.7 t -73.88 141.03 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -115.5 165.6 12.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 28.9 m120 -127.06 103.41 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -126.2 157.55 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.557 ' O ' HD23 ' A' ' 14' ' ' LEU . 21.4 p -164.52 145.21 7.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -84.6 -176.53 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -92.15 -17.8 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -129.74 170.59 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.4 t -74.34 -46.86 5.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -20.64 16.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -73.62 -38.55 65.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.072 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -67.58 -52.64 36.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -45.42 -44.63 12.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -57.55 -39.55 76.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.669 ' CD2' HD11 ' A' ' 14' ' ' LEU . 67.7 m95 -65.02 -60.24 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 108.051 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.4 t -43.72 -61.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.1 t70 -44.63 -63.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 31' ' ' LEU . 5.6 mpt_? -40.51 -67.78 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.68 -53.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.483 ' HA ' HD21 ' A' ' 110' ' ' LEU . 1.3 mm-40 -53.52 -24.67 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ASP . 5.0 t -75.29 -8.69 57.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.96 72.31 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 107' ' ' GLN . 89.2 mt -96.17 -106.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.32 -54.51 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.7 p -131.9 136.71 47.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.74 -179.85 29.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 162.6 36.8 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.15 115.65 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.2 p -62.61 137.51 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -127.01 161.14 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p -104.94 129.01 53.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 -142.68 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.021 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.14 -58.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -43.85 147.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 128.6 9.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -170.02 126.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.781 . . . . 0.0 110.259 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.28 -169.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -114.23 125.83 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.54 143.44 49.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.79 149.9 10.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -49.97 138.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.4 mt -150.99 118.76 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.836 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 36.1 m-85 -82.51 157.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 26.6 ttpt -142.16 107.08 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.6 tttm -40.44 149.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.51 -111.71 1.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.43 1.081 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.91 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.87 158.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -46.87 -53.61 11.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' MET . 9.9 mtmt -41.35 161.26 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.01 166.6 28.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m0 -51.19 134.27 27.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -68.54 125.38 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.836 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.62 125.36 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -135.48 160.38 38.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -84.76 125.21 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 107.969 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -110.01 169.63 8.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' ARG . 66.2 t -138.35 125.84 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -103.47 85.08 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.17 158.26 36.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -125.58 -43.4 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -47.67 -45.54 28.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 22.6 mttt -117.42 0.52 12.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.6 p-80 45.23 88.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' N ' HD12 ' A' ' 55' ' ' LEU . 91.5 mt-30 -151.51 163.83 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.58 106.93 15.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HG2' HG22 ' A' ' 52' ' ' VAL . 8.8 mtp180 -113.89 123.5 49.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 54.1 p90 -123.8 135.33 53.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 2.8 m-85 -122.19 168.42 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.44 -28.7 56.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -101.51 -171.8 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.609 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -93.28 -13.4 28.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASP . 5.4 ptp -140.59 -45.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.158 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER 39.61 -157.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -138.87 -51.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.74 139.98 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 40.1 m -81.46 139.3 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 13.6 mmmt -120.88 91.49 3.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 85.17 127.11 1.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 39' ' ' ARG . 14.4 t -125.98 145.52 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -122.4 102.62 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.648 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 51.3 t0 -60.42 105.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HA ' HG23 ' A' ' 58' ' ' VAL . 93.3 mt -58.77 -28.07 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.648 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -67.69 -23.02 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 85' ' ' THR . 94.7 mt-10 -82.62 -14.57 54.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.752 HG22 ' CG2' ' A' ' 84' ' ' THR . 98.4 t -65.84 140.61 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.6 mt-10 -104.21 -31.17 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.233 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.05 164.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -131.67 157.78 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -145.28 143.85 21.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.05 -174.03 46.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -113.94 159.44 36.06 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.6 p -106.18 -167.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.8 133.77 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 103.77 -36.44 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.45 158.69 3.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HG2' HG12 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -102.54 -40.8 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -39.05 -65.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.606 HG21 ' O ' ' A' ' 93' ' ' ALA . 12.6 p -64.06 150.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.31 -164.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.88 -28.62 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 96' ' ' VAL . 20.2 mtpp -85.7 48.76 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -146.97 -47.19 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 73.7 m-85 -52.23 128.76 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -142.28 131.04 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -90.18 131.72 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.1 t -104.21 112.45 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.744 ' HG2' HG22 ' A' ' 88' ' ' VAL . 50.6 mttt -90.14 126.12 35.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.752 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 p -132.46 160.2 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.409 1.068 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 57' ' ' GLU . 73.2 p -50.28 -46.56 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.79 -72.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -155.76 -169.92 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.744 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -102.1 147.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -122.32 161.59 23.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.62 79.66 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -96.95 162.01 13.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.3 p -165.96 140.3 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.606 ' O ' HG21 ' A' ' 74' ' ' VAL . . . -84.3 -175.85 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -15.38 20.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.47 159.99 35.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -73.12 -47.49 7.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.9 m -82.29 -35.28 28.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -66.81 -51.02 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -47.31 -37.14 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 105' ' ' ARG . 23.1 mt-30 -66.8 -34.81 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 57.4 m95 -68.04 -54.22 19.94 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.37 -62.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 108' ' ' SER . 14.2 t70 -43.07 -60.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 101' ' ' GLN . 5.1 mpt_? -42.69 -70.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -48.87 -47.85 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.512 ' HA ' HD21 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -58.62 -23.39 58.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -76.35 -7.05 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 68.3 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 107' ' ' GLN . 75.0 mt -91.56 -105.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -56.13 4.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.3 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.43 -175.62 15.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.53 5.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.2 m -61.13 -58.13 9.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.5 p -125.32 79.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -168.33 167.97 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.043 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -109.85 150.1 28.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.57 -142.91 3.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -81.66 114.22 20.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 0.0 110.03 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 p -131.67 145.8 51.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.52 62.57 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.42 13.26 7.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 0.756 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 166.62 170.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -112.16 127.85 56.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -120.45 141.61 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.24 166.55 37.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.1 mm -67.42 138.87 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' CD2' ' A' ' 102' ' ' TRP . 12.4 mt -151.09 119.14 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.997 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -82.32 164.56 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -148.25 130.79 15.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.1 tttt -69.05 161.34 29.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' ALA . . . 100.49 99.62 2.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' GLY . . . 176.95 165.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -53.28 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.5 ttm -38.33 -47.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -41.07 160.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.67 10.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.4 m0 -49.35 122.93 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -68.89 133.6 48.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.997 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -98.62 122.35 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -132.01 162.35 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -81.43 127.51 32.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.039 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.739 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -109.85 171.4 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.1 t -139.6 138.45 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -114.2 84.69 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 35.2 t0 -75.86 141.42 42.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.0 OUTLIER -109.19 -35.66 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 49.6 p -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' HIS . 4.3 mmtt -104.68 -12.4 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 12.5 p-80 49.95 58.33 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -138.86 164.7 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.739 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.38 109.32 20.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.67 121.52 44.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 35.7 p90 -127.93 148.8 50.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -137.57 165.28 26.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -62.0 -36.08 80.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -118.87 -175.68 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -91.21 118.09 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.0 ttm 64.82 51.91 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.02 154.74 19.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 t -91.64 35.34 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -152.69 107.69 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.0 140.64 35.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 11.5 mmmt -113.41 90.57 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 135.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -106.16 156.57 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.561 HD12 HD22 ' A' ' 38' ' ' LEU . 3.0 mt -106.76 96.29 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.68 106.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 38' ' ' LEU . 19.9 mt -60.11 -16.41 31.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.51 -20.94 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.05 -25.47 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.761 HG22 ' CG2' ' A' ' 84' ' ' THR . 43.1 t -55.22 124.2 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.67 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.4 mm-40 -80.44 -31.36 37.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.38 160.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -123.39 156.02 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.58 144.43 22.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 89.32 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.557 1.82 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.64 -174.04 41.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -115.29 160.23 35.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.4 Cg_endo -74.99 136.85 20.97 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -114.29 -179.13 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.6 114.3 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.42 -38.79 1.86 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.53 165.05 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.1 Cg_endo -74.99 140.66 25.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -82.89 52.21 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -141.8 -50.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 75' ' ' ASP . 50.1 t -62.97 164.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' N ' HG12 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -115.03 149.92 36.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -52.73 -20.2 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -91.28 31.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -151.63 22.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 27.4 m-85 -119.38 107.97 14.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.42 ' CD2' HG23 ' A' ' 82' ' ' VAL . 30.6 p90 -121.2 130.11 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -92.57 116.66 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG23 ' CD2' ' A' ' 80' ' ' PHE . 41.9 t -90.78 106.61 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -81.24 129.35 34.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.761 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -136.22 173.21 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 p -65.56 -51.84 56.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -162.77 -170.24 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.22 132.86 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 19.1 m-85 -105.95 150.13 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.76 81.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 89' ' ' TYR . 39.5 m-85 -98.95 158.44 15.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.8 p -164.3 139.88 6.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -81.74 174.56 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -87.0 -18.09 31.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -129.68 163.44 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.1 t -70.46 -47.42 18.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 -18.43 18.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 m -76.59 -36.2 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -67.68 -53.39 28.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -44.69 -43.19 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -61.74 -46.46 89.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.766 ' CD2' HD11 ' A' ' 14' ' ' LEU . 63.0 m95 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 63.9 t -44.77 -65.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 32.5 t0 -39.74 -59.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -45.61 -69.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.43 HG23 HD22 ' A' ' 55' ' ' LEU . 12.9 mt -48.22 -55.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.411 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 0.6 OUTLIER -50.95 -32.6 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 4.4 t -64.43 -11.81 37.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.6 69.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 60' ' ' ALA . 29.0 mt -80.06 -100.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.25 -45.3 7.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.82 -64.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.0 -147.7 22.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 132.04 14.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.2 p -62.0 141.23 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.45 108.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -166.96 96.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -159.98 108.97 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.91 107.25 2.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.45 134.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -61.49 148.05 43.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.21 -155.48 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.78 132.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -119.17 -167.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 13.3 t80 -110.83 169.32 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -168.85 136.95 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.82 167.21 39.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.04 140.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 7.4 mt -150.96 118.98 6.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.036 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.3 m-85 -86.67 159.08 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 7.7 ttmt -136.53 140.38 42.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 20.9 tttm -59.5 141.05 55.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.05 83.54 0.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 49.02 -169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -98.61 50.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.76 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -85.64 157.7 57.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 m95 -92.62 115.93 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -83.57 136.85 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -81.57 134.2 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.61 161.3 37.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -94.83 115.59 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.898 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -100.53 167.64 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.4 t -140.86 116.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -95.16 84.38 4.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.59 131.24 37.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -30.21 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.5 p -72.23 -36.4 69.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 12.1 mmtt -105.18 -6.9 19.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 4.7 p-80 45.09 67.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.3 pt20 -152.12 155.23 37.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.898 HD21 ' CD2' ' A' ' 29' ' ' PHE . 3.8 tt -108.2 99.57 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' VAL . 11.0 mtm180 -100.32 127.45 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 38.1 p90 -122.95 139.69 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.465 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 20.3 m-85 -127.19 160.43 31.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -37.84 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -124.14 129.58 51.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -48.26 -52.74 19.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ttp -77.13 63.76 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -120.9 134.2 55.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 t -108.3 36.97 2.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -157.05 125.07 5.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 63.0 m -75.52 140.38 42.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER -121.0 91.36 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.77 123.0 0.11 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -112.31 149.42 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.693 HD12 HD22 ' A' ' 38' ' ' LEU . 1.6 mt -123.04 105.06 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.623 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 63.3 t0 -62.24 104.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 37' ' ' GLN . 31.2 mt -62.78 -22.01 66.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.623 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -72.84 -6.2 43.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 85' ' ' THR . 31.0 mt-10 -101.91 -12.27 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.636 HG22 ' CG2' ' A' ' 84' ' ' THR . 49.8 t -64.98 123.4 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 47.2 mt-10 -81.95 -29.53 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.35 162.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -127.77 155.5 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.02 143.7 29.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.55 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.89 -172.68 47.6 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.11 161.4 33.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.2 p -112.09 -175.73 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.63 135.82 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.95 -40.38 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HA ' ' CD1' ' A' ' 24' ' ' TRP . . . -43.25 160.79 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.62 19.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' HG23 ' A' ' 73' ' ' THR . 0.1 OUTLIER -82.7 65.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 72' ' ' LYS . 34.7 p -151.18 -60.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 4.5 p -66.28 153.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.0 -167.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.06 -28.88 22.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -84.24 50.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.54 -46.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 92' ' ' CYS . 76.6 m-85 -55.34 124.95 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -137.67 128.52 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -89.68 134.04 34.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.14 109.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HG3' HG22 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -84.75 120.36 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.636 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -124.39 -174.58 3.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 57' ' ' GLU . 18.8 p -78.83 -48.15 15.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 84' ' ' THR . 13.8 ptp180 -158.94 169.49 24.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HG3' ' A' ' 83' ' ' LYS . 3.1 t -78.12 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.83 153.48 32.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -116.68 97.63 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 21.6 m-85 -117.48 159.83 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 6.7 p -164.7 137.41 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -77.15 -168.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -25.1 14.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -126.5 176.09 7.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -78.38 -49.08 1.84 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 -30.46 60.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -74.44 -48.15 29.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -50.56 -36.97 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.38 -33.16 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.617 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 50.7 m95 -71.4 -50.5 31.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.4 t -50.02 -61.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -50.1 9.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -54.66 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mt -47.55 -50.05 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 23.7 mt-30 -54.4 -25.91 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -75.99 -6.52 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 57.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 60' ' ' ALA . 27.5 mt -73.36 -103.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.0 p -71.73 166.23 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.06 -59.95 3.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.37 154.71 6.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.7 98.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.99 106.97 9.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t 46.17 86.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.59 140.45 47.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -156.95 -61.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -74.23 -55.44 6.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.14 -59.91 0.37 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -168.07 130.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.793 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 2.1 t 64.97 160.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 27.1 t80 -113.55 165.93 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -148.29 131.93 16.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -170.99 170.23 43.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.644 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.4 mm -68.95 139.38 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 102' ' ' TRP . 14.3 mt -151.37 119.56 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 9.4 m-85 -84.66 156.82 21.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -131.61 122.13 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 2.0 tttm -47.39 148.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.31 -80.64 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.02 -174.73 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -95.76 38.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.26 -46.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -98.36 159.06 31.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.95 43.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.803 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLY . 16.8 m0 -57.12 152.65 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -79.35 117.45 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -92.45 114.47 27.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -141.43 164.01 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.0 t-105 -81.76 121.64 26.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -103.3 169.38 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 92.4 t -139.83 134.84 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -104.65 85.04 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 1.1 t70 -73.6 136.66 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 -39.53 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -54.92 -41.38 70.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -107.46 -18.19 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.7 OUTLIER 65.14 73.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.578 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -151.48 168.42 24.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.685 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 83.8 mtt180 -104.26 127.29 51.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 41.6 p90 -128.06 140.38 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 6.8 m-85 -123.36 166.82 14.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.09 -40.99 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -115.29 176.58 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.577 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -90.53 -37.12 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.87 42.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -99.49 146.97 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -116.37 43.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 3.3 mt-10 -149.16 122.86 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.87 116.79 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -116.71 92.53 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 106.54 148.85 16.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.2 151.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 HD22 ' A' ' 38' ' ' LEU . 1.1 mt -139.41 98.48 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.26 116.21 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 HD22 ' A' ' 31' ' ' LEU . 57.9 mt -68.4 -30.77 69.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -15.94 58.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 85' ' ' THR . 65.7 mt-10 -88.43 -26.45 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.777 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.1 t -61.75 128.52 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.0 mt-10 -90.15 -31.73 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.08 177.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -140.17 157.67 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.31 144.42 21.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.97 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.56 -167.26 41.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 p -123.17 158.19 58.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.0 135.17 18.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 p -127.55 -153.48 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.96 159.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . 39.75 54.22 2.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.922 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -83.49 -174.53 0.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.922 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.97 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' C ' ' CG2' ' A' ' 73' ' ' THR . 5.1 mmtt -73.24 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 72' ' ' LYS . 5.5 p -152.86 76.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 78' ' ' ALA . 70.8 t -106.22 149.65 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.57 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -81.25 123.75 28.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 5.5 pt-20 -36.7 -34.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.2 mtpt -62.29 -55.9 23.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -40.0 -61.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 86.0 m-85 -33.72 138.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 40.3 p90 -159.44 124.82 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -84.53 131.53 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.4 t -104.57 104.72 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HG2' HG22 ' A' ' 88' ' ' VAL . 17.9 mttt -77.0 127.35 32.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.777 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -130.75 -173.88 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLU . 21.3 p -79.79 -41.35 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -64.67 -70.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 84' ' ' THR . 34.2 ptt-85 -158.29 161.84 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.471 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -70.38 138.2 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -111.07 165.37 11.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.406 ' ND2' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -132.13 89.46 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 23.0 m-85 -109.33 158.06 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.662 ' O ' HD23 ' A' ' 14' ' ' LEU . 13.8 p -156.85 155.17 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -99.67 170.34 8.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.644 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -84.31 -0.27 51.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.85 166.34 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.589 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -75.5 -47.4 4.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -17.38 19.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 m -78.3 -39.98 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.95 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 93' ' ' ALA . . . -68.27 -51.22 47.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -46.26 -43.9 16.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.73 -42.02 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.714 ' CD2' HD11 ' A' ' 14' ' ' LEU . 47.9 m95 -59.62 -57.59 12.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.1 -61.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -55.15 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 108' ' ' SER . 9.1 mtt-85 -53.62 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.95 -49.51 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.679 ' HA ' HD11 ' A' ' 110' ' ' LEU . 4.4 mm-40 -59.0 -29.73 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -82.75 -5.65 59.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 3.4 m -136.02 61.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.679 HD11 ' HA ' ' A' ' 107' ' ' GLN . 36.2 mt -103.06 -136.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.77 151.94 23.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -127.16 88.95 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.4 -171.82 12.88 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 99.53 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.4 p -177.22 138.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -60.95 114.09 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p -145.42 -48.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -103.9 158.53 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.19 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -40.57 140.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 68.8 133.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.12 -127.97 5.68 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.43 -158.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -139.13 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 21.2 t80 -114.53 157.28 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 pm0 -146.57 163.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.62 151.45 6.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.446 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.9 mm -57.96 144.12 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.605 HD11 ' CD2' ' A' ' 102' ' ' TRP . 10.2 mt -151.2 119.03 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 6.6 m-85 -81.95 167.33 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -145.3 120.34 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.7 tttm -59.42 161.3 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 19' ' ' ALA . . . 98.03 102.51 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' GLY . . . 174.88 160.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -52.49 -174.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -38.26 -42.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -46.38 160.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.5 29.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 23.5 m0 -47.35 146.13 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 20.7 tptm -83.85 149.84 26.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 25' ' ' LYS . . . -106.29 120.12 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -121.42 162.32 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 73.8 t-105 -96.42 104.77 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.973 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.3 m-30 -89.57 170.86 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' ARG . 14.8 t -145.16 114.23 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -89.92 83.79 6.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -80.16 128.2 33.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -96.71 -36.1 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.9 p -70.65 -30.31 66.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -95.78 -30.62 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.92 39.84 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.637 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -136.79 163.42 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.973 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -109.5 103.23 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 4.2 mtt180 -100.59 122.54 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 34.7 p90 -130.4 144.59 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 10.7 m-85 -123.26 164.99 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.4 -33.33 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' C ' ' OD1' ' A' ' 46' ' ' ASP . 26.0 m-70 -122.23 -171.88 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.635 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HG3' ' CD2' ' A' ' 28' ' ' TRP . 14.4 ttp-105 -107.77 11.87 27.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.85 37.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -95.46 129.93 42.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -78.38 -31.61 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.377 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -103.0 138.93 39.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 t -97.26 142.51 29.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 10.9 mmmt -120.0 91.42 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.46 152.03 19.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' A' ' 39' ' ' ARG . 2.3 t -148.69 155.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -136.61 101.73 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -56.96 120.86 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.24 -26.95 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.79 -8.62 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 85' ' ' THR . 68.0 mt-10 -98.58 -23.34 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.533 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.3 t -58.3 128.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 56.5 mt-10 -90.33 -31.12 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.97 175.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.27 157.64 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' VAL . . . -144.82 144.25 23.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.97 120.91 6.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.81 -173.67 27.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 p -113.32 160.85 29.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.99 115.56 4.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.9 p -98.04 -174.49 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.432 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.81 136.23 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.61 -40.02 2.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.594 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -47.83 165.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.95 175.69 10.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -102.3 -46.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.504 HG11 ' SG ' ' A' ' 92' ' ' CYS . 94.6 t -61.87 154.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -160.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.31 -30.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 96' ' ' VAL . 24.0 mtpp -84.61 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -147.73 -47.06 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.594 ' HZ ' ' HB1' ' A' ' 70' ' ' ALA . 52.3 m-85 -49.47 127.53 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -145.16 130.34 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.53 135.45 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' A' ' 91' ' ' PHE . 47.9 t -105.38 115.06 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HG2' HG22 ' A' ' 88' ' ' VAL . 57.0 mttt -92.69 134.98 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.533 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.2 p -138.2 -170.92 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -79.48 -41.31 27.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -72.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 84' ' ' THR . 9.7 ptt180 -154.59 175.86 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 83' ' ' LYS . 3.2 t -83.99 144.53 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.07 161.93 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -130.75 93.09 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.428 ' HD2' HG21 ' A' ' 82' ' ' VAL . 18.7 m-85 -104.47 167.01 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.6 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -152.95 160.19 43.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.97 5.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.49 34.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 173.19 164.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.611 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.6 t -76.05 -46.26 3.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.02 -17.11 19.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 m -78.48 -35.32 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.933 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -69.34 -53.1 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -46.32 -45.97 17.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.19 -35.96 80.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CD2' HD11 ' A' ' 14' ' ' LEU . 22.7 m95 -66.53 -51.84 52.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.42 -56.21 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -45.21 -46.52 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -61.39 -61.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.42 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 13.7 mt -51.44 -50.46 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' CD ' HD11 ' A' ' 110' ' ' LEU . 3.1 mm-40 -59.35 -14.85 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.3 t -96.97 -5.17 38.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 110' ' ' LEU . 1.8 p -98.07 -27.39 14.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 110' ' ' LEU . 4.0 mt -37.1 -36.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 m -152.26 126.14 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p 174.3 86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.67 155.09 50.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -41.37 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 111.057 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.41 -54.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.8 162.45 29.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 p -143.97 -59.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.73 152.79 21.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.81 -175.37 45.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 179.96 131.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 63.11 149.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.68 123.25 5.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.62 142.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 m -146.95 -169.14 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -109.55 156.37 20.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -155.7 152.58 28.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.21 165.48 33.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.472 HG21 ' HG3' ' A' ' 94' ' ' GLN . 2.6 mm -66.41 140.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 92' ' ' CYS . 12.1 mt -151.24 119.12 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.854 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 24.2 m-85 -85.68 148.75 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -122.88 119.34 30.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.563 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 17.9 tttt -48.11 133.51 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.87 164.17 23.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -75.43 -171.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' MET . 7.7 m-85 -45.11 171.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER 80.1 80.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' ' CE ' ' A' ' 21' ' ' MET . 3.7 mttt 75.95 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 18.2 Cg_endo -75.07 -169.82 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.4 m0 -52.53 135.49 33.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -76.73 128.88 35.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -93.56 123.52 36.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.68 162.75 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -88.55 120.04 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.668 ' CD2' HD21 ' A' ' 38' ' ' LEU . 4.0 m-30 -104.67 170.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 75.0 t -135.05 146.64 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.18 84.65 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -70.11 148.54 48.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 2.4 ptpt -122.59 -41.41 2.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 34' ' ' THR . 54.2 p -51.64 -44.28 62.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 17.5 mttt -115.65 0.17 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.4 p-80 47.36 85.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.64 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 73.2 mt-30 -153.82 155.95 36.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.707 HD22 HD12 ' A' ' 53' ' ' ILE . 2.4 tt -109.03 103.15 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -108.03 133.33 52.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 34.2 p90 -127.39 132.08 50.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.539 ' CE2' ' HA ' ' A' ' 49' ' ' CYS . 8.6 m-85 -123.29 168.97 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.69 -38.22 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -115.59 146.14 42.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -29.4 70.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.34 74.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -125.64 143.39 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 t -109.07 36.33 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.26 121.35 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 3.8 m -81.79 132.07 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.236 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.7 mttt -120.71 91.09 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.64 129.26 1.58 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.06 149.7 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.707 HD12 HD22 ' A' ' 38' ' ' LEU . 2.0 mt -128.11 101.26 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 48.3 t0 -57.05 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 37' ' ' GLN . 36.5 mt -57.44 -21.19 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.561 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -71.44 -15.32 62.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.9 -14.34 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.625 HG22 ' CG2' ' A' ' 84' ' ' THR . 38.1 t -61.61 122.17 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 mm-40 -78.44 -33.1 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.18 157.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -119.33 149.92 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' PHE . . . -140.75 144.28 35.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 89.31 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.47 -172.52 24.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -108.03 158.24 34.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.439 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.02 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.809 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -73.96 179.23 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mt -71.48 131.66 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.8 -41.22 2.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -52.2 164.56 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -35.16 68.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -47.31 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 92' ' ' CYS . 62.5 t -51.26 145.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.08 155.4 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.68 -20.92 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -91.38 30.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -149.09 20.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 16.8 m-85 -117.0 110.71 18.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' ALA . 28.4 p90 -125.66 127.74 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.63 120.34 31.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.5 t -91.06 107.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HG2' HG22 ' A' ' 88' ' ' VAL . 2.0 mttm -84.86 130.31 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -132.93 -171.75 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 p -77.71 -42.64 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -160.08 -175.76 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.3 t -93.83 134.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -106.64 160.38 15.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.89 92.23 3.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -112.07 158.22 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.731 ' HB2' HG11 ' A' ' 74' ' ' VAL . 7.9 p -158.66 137.91 11.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.86 177.99 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.02 13.86 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.44 159.49 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.59 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.2 t -69.78 -47.58 23.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.03 -15.8 20.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.4 m -80.43 -30.03 37.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -71.66 -51.93 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -47.17 -40.1 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.452 ' O ' ' NE ' ' A' ' 105' ' ' ARG . 23.0 mt-30 -63.56 -39.63 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 48.3 m95 -64.19 -60.19 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' TRP . 75.3 t -40.39 -63.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -43.94 -65.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -39.77 -68.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 109' ' ' CYS . 40.1 mt -47.69 -56.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.538 ' HA ' HD11 ' A' ' 110' ' ' LEU . 4.1 mm-40 -52.04 -26.09 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -79.11 -18.93 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 110' ' ' LEU . 86.5 m -74.33 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -34.48 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -67.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -153.99 155.56 35.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -111.65 169.27 13.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.15 -56.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.4 m -141.09 115.27 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.64 118.45 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.19 -161.67 12.85 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 62.21 72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p 177.15 160.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.1 -162.9 38.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 68.48 139.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -110.64 -166.14 1.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 1.6 t80 -109.69 154.12 23.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.29 122.13 5.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.572 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -164.34 162.19 35.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' NE2' ' A' ' 94' ' ' GLN . 4.0 mm -59.01 141.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.5 mt -151.23 118.93 6.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 54.4 m-85 -90.39 155.48 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 1.8 ttmt -133.28 154.83 50.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 11.7 tttm -66.71 173.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -154.95 -64.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 77.27 1.96 3.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.07 159.61 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.04 86.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . 10.4 mmtt 70.08 163.12 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 22' ' ' LYS . 18.4 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 20.1 m95 -49.54 120.53 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -79.05 146.78 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -108.91 126.4 53.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -140.55 159.55 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.087 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 72.3 t-105 -85.63 124.5 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.956 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.927 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-30 -107.4 167.51 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -140.05 124.43 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 ' HZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.2 92.85 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.14 152.15 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -42.32 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.417 ' H ' HG23 ' A' ' 34' ' ' THR . 44.3 p -50.7 -33.82 24.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 16.6 mttt -129.9 8.78 5.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER 38.58 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -148.77 167.02 26.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -118.01 108.33 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 52' ' ' VAL . 46.7 mtt85 -108.73 119.95 41.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 26.8 p90 -130.4 147.66 52.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -139.15 164.31 30.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -67.1 -23.36 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -116.31 151.62 35.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 4.6 ttp180 -47.28 -50.69 21.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 ttp -125.35 83.27 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 51.0 t0 -92.89 166.43 12.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.422 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 4.3 t -99.21 -38.55 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.98 129.0 46.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.32 151.22 21.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 108.257 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 17.0 mmmt -120.84 91.03 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 124.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -105.59 157.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.683 HD12 HD22 ' A' ' 38' ' ' LEU . 6.1 mt -118.52 97.09 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.33 101.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 38' ' ' LEU . 19.5 mt -58.22 -19.92 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.18 62.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.728 ' OE1' HG21 ' A' ' 85' ' ' THR . 60.6 mm-40 -88.74 -17.68 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.566 HG22 ' CG2' ' A' ' 84' ' ' THR . 42.8 t -60.45 121.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 51.8 mt-10 -80.02 -29.64 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.47 167.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -129.39 157.42 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -147.54 145.09 20.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.02 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.67 -167.45 32.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -117.67 157.76 47.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -74.95 152.44 41.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.563 1.823 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -133.56 -165.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.4 mt -74.8 135.57 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.65 -46.13 1.27 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.66 156.09 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.95 28.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -70.26 -37.62 74.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 p -39.03 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.65 156.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.08 179.91 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.4 pt-20 -65.2 -36.9 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 96' ' ' VAL . 16.6 mtmt -78.39 54.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 96' ' ' VAL . . . -157.98 -45.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 92' ' ' CYS . 81.8 m-85 -58.53 119.7 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -127.28 129.34 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -87.13 138.2 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.4 t -109.52 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.546 ' HG2' HG22 ' A' ' 88' ' ' VAL . 29.6 mttt -84.89 127.16 34.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.566 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.1 p -128.0 -169.39 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.728 HG21 ' OE1' ' A' ' 57' ' ' GLU . 7.2 p -84.82 -47.28 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 87' ' ' ARG . 14.2 ptm180 -59.67 -47.39 85.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CG ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -170.4 -152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.546 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.5 t -122.9 141.61 42.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 53' ' ' ILE . 14.6 m-85 -118.23 146.01 44.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -115.04 98.44 6.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD1' ' HG3' ' A' ' 16' ' ' LYS . 23.1 m-85 -110.59 160.09 16.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 23.5 p -162.3 141.1 9.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 108.322 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -83.28 -169.42 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -95.59 -15.85 22.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.4 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.8 t0 -134.41 169.03 17.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.73 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 1.6 t -76.22 -47.43 3.5 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.97 -17.88 19.25 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 t -79.2 -34.83 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -67.73 -50.77 55.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -48.25 -44.02 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.37 -33.3 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.54 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 37.7 m95 -72.03 -62.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 107.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.4 t -45.81 -51.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -49.35 -43.18 43.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 mtt85 -65.27 -56.8 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.415 HG23 HD22 ' A' ' 55' ' ' LEU . 8.5 mt -55.22 -47.25 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -25.12 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -6.42 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.0 67.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.293 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.0 mt -86.77 -106.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 -55.2 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.2 m 59.6 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 137.93 -158.3 24.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.06 17.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.33 124.23 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 m -93.42 157.85 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.07 170.06 20.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.34 159.3 42.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 73.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 174.46 166.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p 50.43 -179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.38 -128.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.9 14.91 30.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -148.76 -169.89 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 105' ' ' ARG . 76.0 t80 -111.92 171.14 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 9.5 pt-20 -152.73 178.24 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 163.64 12.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG21 ' OE1' ' A' ' 94' ' ' GLN . 2.3 mm -68.88 139.57 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 16.3 mt -151.56 119.6 6.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.872 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 7.1 m-85 -88.77 167.83 12.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -144.24 123.51 13.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -67.47 107.3 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.16 -64.3 2.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.87 179.77 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -76.01 165.51 24.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.09 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 155.64 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.78 30.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 13.2 m0 -73.69 148.93 42.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 131.38 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.872 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -100.19 124.17 45.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -138.64 163.07 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD1' ' HA ' ' A' ' 44' ' ' ARG . 76.4 t-105 -89.81 114.83 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.878 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -97.91 171.68 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.7 t -140.58 134.44 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.42 83.66 1.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.69 125.23 30.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.39 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 p -73.21 -36.45 66.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 11.2 mmtt -96.75 -13.78 22.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.9 p-80 50.07 47.86 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.648 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.616 ' NE2' HG21 ' A' ' 52' ' ' VAL . 4.2 mt-30 -139.77 161.63 37.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.878 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -107.97 105.94 15.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' NH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -102.58 123.07 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . 10.8 p90 -134.46 144.25 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -136.73 163.41 30.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.46 -43.18 34.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -125.29 -173.69 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.593 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -52.55 -55.78 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.7 mtt -133.06 91.72 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -100.61 12.78 36.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t 38.44 30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.3 mt-10 -153.37 104.39 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 t -93.66 126.42 38.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 108.284 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -105.7 91.26 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.546 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . . . 70.35 123.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.682 HG11 ' NH2' ' A' ' 39' ' ' ARG . 15.0 m -103.16 174.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.736 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.637 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -129.0 99.69 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.843 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 13.0 t70 -62.01 105.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 38' ' ' LEU . 30.4 mt -57.17 -25.07 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.843 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -68.68 -12.05 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 85' ' ' THR . 14.9 mm-40 -97.82 -18.76 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 84' ' ' THR . 89.4 t -68.99 136.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 42.4 mt-10 -95.87 -29.73 14.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 166.03 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -135.32 157.56 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -146.91 144.55 20.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 130.99 13.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.46 -166.21 17.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 p -114.33 158.62 39.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 105.17 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -84.84 -175.59 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.67 139.51 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.28 -38.02 3.43 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -55.2 160.14 3.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 168.62 24.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -94.27 -40.86 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -40.77 -58.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 75' ' ' ASP . 9.4 p -61.12 164.55 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.522 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.4 t0 -114.2 -178.86 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -78.62 -29.96 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.626 ' HB2' HG22 ' A' ' 96' ' ' VAL . 43.2 mtpt -84.86 50.25 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -146.28 -57.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 75.5 m-85 -40.43 132.57 2.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -146.68 127.11 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -88.0 138.38 31.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.478 HG12 HG23 ' A' ' 84' ' ' THR . 25.6 t -109.05 115.33 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -86.71 118.68 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.843 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -127.02 176.75 7.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 57' ' ' GLU . 28.1 p -69.66 -50.2 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -158.94 159.59 35.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.33 138.58 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -113.91 128.24 56.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.94 87.47 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -98.13 167.3 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.459 ' SG ' ' CE3' ' A' ' 24' ' ' TRP . 5.7 p -175.47 133.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.53 -143.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' OE1' HG21 ' A' ' 13' ' ' ILE . 14.8 pt20 -135.95 24.46 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 98' ' ' SER . 0.2 OUTLIER -156.51 159.29 38.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 77' ' ' LYS . 1.2 t -76.05 -47.1 3.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.07 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.42 ' HB2' ' CB ' ' A' ' 95' ' ' ASP . 52.6 m -43.54 -36.31 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 102' ' ' TRP . . . -69.99 -54.31 13.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -45.02 -38.91 5.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -62.63 -37.01 84.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.464 ' CD2' HD11 ' A' ' 14' ' ' LEU . 79.8 m95 -64.61 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.33 -64.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' SER . 19.3 t0 -43.9 -61.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 6.6 mtt85 -44.67 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 mt -45.28 -54.68 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.52 ' HA ' HD21 ' A' ' 110' ' ' LEU . 24.9 mt-30 -52.23 -28.19 17.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -72.64 -17.75 61.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.6 75.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 60' ' ' ALA . 97.5 mt -96.95 -109.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -48.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.87 141.88 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.26 157.92 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.8 p -90.76 101.71 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -174.97 125.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -111.98 -72.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -166.19 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.93 177.03 23.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t 177.97 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -165.74 134.32 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.88 84.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 9' ' ' SER . 5.3 tpt180 -176.32 136.92 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 4.4 m -103.75 -156.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 22.7 t80 -134.59 161.31 35.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.86 150.74 24.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.57 165.01 31.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.55 143.84 15.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 29' ' ' PHE . 12.5 mt -151.43 118.99 6.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.902 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.2 m-85 -86.72 156.15 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 5.9 tttp -123.1 165.81 16.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 40.2 tttm -108.77 153.61 23.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.691 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . 37.75 -144.6 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 83.54 -4.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER 175.5 148.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -37.73 -56.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -42.66 162.69 0.16 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.1 m95 -59.42 105.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 108.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -74.25 138.1 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.902 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -103.5 109.63 21.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -123.44 162.66 22.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 74.9 t-105 -85.73 122.7 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.4 m-30 -107.09 168.81 8.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.9 t -137.11 134.0 47.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -114.36 84.78 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 33' ' ' LYS . 33.8 t0 -75.16 147.19 40.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -108.28 -37.07 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -72.4 -29.44 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.1 mmtt -105.94 -18.0 14.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 6.7 p-80 48.47 53.66 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -132.82 170.28 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -119.12 105.46 11.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH1' ' OH ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -109.19 123.57 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 55.0 p90 -122.97 135.37 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.44 ' OH ' ' NH1' ' A' ' 39' ' ' ARG . 17.6 m-85 -111.34 143.56 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.155 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -29.62 55.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' MET . 43.0 m-70 -142.47 138.8 31.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -41.33 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.315 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' ARG . 0.9 OUTLIER 80.29 65.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' THR . 36.2 t0 -83.55 165.18 19.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -37.69 -55.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.424 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' H ' HG23 ' A' ' 47' ' ' THR . 2.9 mt-10 -148.73 148.57 30.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 p -53.41 138.18 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -120.82 91.48 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 104.73 150.93 20.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.069 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 39' ' ' ARG . 3.1 t -145.13 155.02 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.638 HD12 HD22 ' A' ' 38' ' ' LEU . 1.8 mt -136.78 99.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -57.25 104.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 38' ' ' LEU . 70.1 mt -58.92 -25.28 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -17.29 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' HB3' HG23 ' A' ' 85' ' ' THR . 70.7 mt-10 -90.27 -17.81 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.7 t -64.38 122.51 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 48.6 mt-10 -79.91 -31.62 40.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.19 161.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -124.69 155.07 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.18 144.33 31.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.19 179.75 38.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 p -104.86 156.58 35.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.0 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.417 1.746 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -82.82 -178.89 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.5 mt -68.69 132.94 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -35.31 5.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -60.41 164.9 6.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.06 127.78 10.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -66.33 -48.33 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LYS . 29.7 p -37.3 -55.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.711 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 49.0 t -60.9 152.65 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -103.73 154.51 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 8.8 pt-20 -51.68 -28.59 15.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.759 ' HB2' HG22 ' A' ' 96' ' ' VAL . 9.7 mtpt -66.81 -9.55 38.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.711 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . . . -111.66 32.76 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 17.0 m-85 -131.62 109.28 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -136.22 128.38 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' ' ND2' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -87.12 141.89 28.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.61 110.84 33.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -88.11 122.26 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.685 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.45 -168.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.517 HG23 ' HB3' ' A' ' 57' ' ' GLU . 43.0 p -83.01 -43.84 15.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -60.26 -67.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -159.3 -173.52 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.05 131.72 39.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -111.48 126.63 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.43 ' ND2' ' OD2' ' A' ' 81' ' ' ASP . 26.6 m120 -102.11 100.23 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -109.56 173.24 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 78' ' ' ALA . 1.1 p -172.53 133.21 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 108.356 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.46 -173.4 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.36 -28.11 13.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 154.12 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.759 HG22 ' HB2' ' A' ' 77' ' ' LYS . 2.1 t -73.45 -45.55 7.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.0 -15.44 20.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 m -79.71 -34.66 39.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -64.84 -54.64 27.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -43.99 -37.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -72.34 -36.93 68.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 30.9 m95 -63.27 -50.73 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.32 -63.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -42.8 -42.72 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 10.1 mtt-85 -60.96 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.02 -47.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.684 ' HA ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -62.36 -32.88 73.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ASP . 28.8 t -68.72 -8.33 41.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 110' ' ' LEU . 1.2 m -101.84 -88.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 107' ' ' GLN . 2.9 mt 35.61 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.74 126.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.73 167.09 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.77 172.42 18.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 73.5 m -120.34 105.16 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -57.77 -56.81 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -161.08 -56.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.01 124.76 38.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.74 65.21 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 109.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -155.8 128.36 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.046 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.66 73.43 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.445 1.09 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' SER . 2.7 mtt85 56.85 96.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' ARG . 0.7 OUTLIER 57.95 158.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.944 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' ' HD3' ' A' ' 105' ' ' ARG . 18.7 t80 -111.31 164.23 13.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -155.81 126.12 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.3 176.76 36.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG21 ' HG3' ' A' ' 94' ' ' GLN . 3.3 mm -72.77 142.03 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 92' ' ' CYS . 7.5 mt -151.62 119.5 6.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.893 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 19.1 m-85 -86.48 154.36 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -125.97 128.59 47.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' CD ' ' CZ2' ' A' ' 24' ' ' TRP . 7.2 ttpt -65.42 128.15 34.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.47 120.63 4.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.42 -169.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -111.01 156.25 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.51 24.06 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -117.84 159.63 41.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.641 ' CZ2' ' CD ' ' A' ' 17' ' ' LYS . 12.4 m0 -62.98 158.03 20.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -104.94 143.39 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -97.34 125.17 41.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.56 159.94 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 44' ' ' ARG . 62.2 t-105 -95.41 118.42 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.722 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.8 m-30 -103.79 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -136.67 121.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.74 82.74 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -79.01 128.48 33.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -32.78 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 p -67.57 -38.66 84.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 8.5 mmtt -97.86 -7.11 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 7.1 p-80 44.4 42.66 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' CG ' ' HA ' ' A' ' 54' ' ' ASP . 4.4 mt-30 -131.22 171.59 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.722 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -115.22 106.75 14.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -102.2 120.22 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 22.4 p90 -132.92 138.71 47.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -131.26 169.77 15.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -21.97 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -110.49 -178.82 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.62 -43.12 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -67.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 8.1 t70 58.28 160.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -114.32 -27.59 7.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 3.4 pt-20 -107.3 116.64 32.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 31.7 p -86.21 153.2 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.609 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -112.04 90.47 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.14 124.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.1 m -100.23 156.1 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 HD22 ' A' ' 38' ' ' LEU . 5.9 mt -110.88 98.39 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -62.09 105.57 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.9 mt -57.74 -20.13 32.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.0 65.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -91.76 -22.82 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' A' ' 84' ' ' THR . 53.2 t -58.72 127.14 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.9 mt-10 -92.65 -29.43 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 169.67 177.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -133.27 156.13 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.64 145.81 24.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 18.5 Cg_endo -74.95 119.52 5.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' THR . . . -110.9 97.63 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.975 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -37.16 155.42 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.392 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.975 ' HD2' HG22 ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.0 p -112.91 -168.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -76.85 117.06 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.75 -29.8 6.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -49.22 165.72 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.4 Cg_endo -75.02 131.08 13.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.782 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' THR . 10.9 mptt -64.29 -54.61 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' LYS . 31.8 p -36.75 -54.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.57 146.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -108.23 156.63 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.27 -17.86 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 96' ' ' VAL . 5.9 mtmm -92.23 29.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -148.49 20.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 66' ' ' PRO . 8.2 m-85 -110.35 118.24 35.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -140.78 133.14 28.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -100.11 147.15 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.621 HG12 HG23 ' A' ' 84' ' ' THR . 25.3 t -107.19 113.53 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -87.5 107.96 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.694 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.3 p -114.93 -177.07 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p -75.84 -47.56 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -56.62 -64.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -167.5 162.4 14.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 2.7 t -73.64 140.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -116.68 160.57 20.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 8.0 m120 -121.92 117.15 25.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 90' ' ' ASN . 22.3 m-85 -136.43 158.64 43.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.635 ' O ' HD23 ' A' ' 14' ' ' LEU . 29.9 p -161.94 143.75 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.96 178.87 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -96.63 22.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.23 164.08 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.595 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -75.94 -47.02 3.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -75.02 -16.53 20.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -79.37 -36.11 39.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.36 -53.64 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -45.07 -42.98 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -65.06 -34.61 78.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.1 m95 -66.87 -54.72 19.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.2 t -52.82 -64.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 1.8 t0 -41.64 -50.3 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' HD3' ' CB ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -52.6 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.3 mt -51.31 -44.71 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' CD ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -63.43 -23.95 67.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -77.42 -5.77 51.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 67.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD11 ' CD ' ' A' ' 107' ' ' GLN . 95.4 mt -92.13 -108.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.31 173.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.96 165.88 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.06 -177.72 47.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.1 m -84.58 113.0 20.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.949 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.59 150.63 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 136.66 34.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -89.76 134.77 34.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.03 101.1 0.14 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 p -131.53 70.67 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m 63.42 117.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.05 -78.74 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -157.05 159.03 37.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 10' ' ' TYR . 3.6 p -68.76 -152.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 43.5 t80 -114.34 170.92 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -151.3 -174.95 4.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.02 145.41 4.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -55.5 141.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.0 mt -150.66 119.04 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.006 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 63.1 m-85 -89.21 144.93 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -129.32 115.62 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 7.5 tttt -53.97 121.32 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.89 -178.34 18.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -87.05 -170.31 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 0.769 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' MET . 14.4 m-85 -35.86 101.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER 162.4 80.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 56.81 164.38 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' TRP . 18.2 Cg_endo -75.02 110.73 3.17 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 8.7 m95 55.63 170.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -128.58 108.88 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.006 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -75.85 114.07 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 162.57 31.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 11' ' ' GLU . 73.5 t-105 -88.51 119.83 29.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.988 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.59 170.98 7.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.9 t -141.05 125.1 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -98.83 83.91 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -82.17 128.38 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -96.92 -29.75 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -71.27 -37.59 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -94.23 -28.18 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 109' ' ' CYS . 0.5 OUTLIER 65.39 39.04 5.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.611 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' HG13 ' A' ' 52' ' ' VAL . 22.1 mt-30 -132.54 162.96 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -106.4 107.09 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' VAL . 6.3 mtm180 -106.42 131.08 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 46.8 p90 -143.36 140.66 30.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.552 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -123.67 158.21 32.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.1 -28.21 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.69 160.55 41.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 106.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 mtm 68.2 74.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 47' ' ' THR . 35.9 t0 -92.46 167.65 11.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -36.82 -54.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 47' ' ' THR . 1.7 mt-10 -151.56 155.89 39.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 30.9 p -65.43 141.12 58.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 2.5 mmpt? -116.31 91.34 3.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.81 146.99 21.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t -139.97 150.39 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 38' ' ' LEU . 2.1 mt -130.49 96.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.43 106.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mt -61.46 -25.75 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.59 -19.91 65.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 85' ' ' THR . 56.7 mm-40 -87.92 -25.23 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 73.7 t -57.93 130.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 50.8 mt-10 -93.9 -28.11 16.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 168.13 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.42 153.67 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -143.82 144.54 27.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 119.06 5.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.6 -162.46 33.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.2 p -121.24 147.66 47.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.806 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.3 Cg_endo -75.05 119.9 5.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 p -94.95 -172.58 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.33 119.48 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.31 -45.34 1.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' HZ ' ' A' ' 79' ' ' PHE . . . -46.93 162.59 0.26 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 -171.92 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 74' ' ' VAL . 9.0 mttp -119.8 -40.66 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.468 HG21 ' CD ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.74 ' CG2' ' HB3' ' A' ' 78' ' ' ALA . 9.1 p -97.28 159.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -114.27 151.19 33.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 3.8 pt-20 -44.25 -36.95 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -50.08 71.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.74 ' HB3' ' CG2' ' A' ' 74' ' ' VAL . . . -50.64 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 67.8 m-85 -31.46 127.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -148.7 130.25 14.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -89.64 143.0 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.34 115.29 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG2' HG22 ' A' ' 88' ' ' VAL . 21.4 mttt -87.91 118.75 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.2 p -122.39 -175.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 57' ' ' GLU . 16.8 p -77.19 -35.14 56.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -70.7 -76.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 4.5 ptp180 -150.96 171.66 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 83' ' ' LYS . 2.8 t -81.98 140.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.585 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 25.3 m-85 -114.51 165.33 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -127.02 96.43 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CE2' ' CB ' ' A' ' 89' ' ' TYR . 62.3 m-85 -115.11 155.21 27.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.544 ' O ' HD23 ' A' ' 14' ' ' LEU . 30.9 p -161.2 148.77 15.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.21 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' CD ' HG21 ' A' ' 73' ' ' THR . 1.6 mt-30 -112.72 29.61 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 1.6 t0 -177.62 160.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.639 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.2 t -75.18 -44.62 4.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.1 Cg_endo -75.05 -16.64 19.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.5 m -86.61 -34.3 19.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB2' ' HB1' ' A' ' 78' ' ' ALA . . . -71.94 -51.14 23.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -46.72 -38.28 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -65.75 -37.45 86.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 52.2 m95 -62.87 -55.25 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ASP . 54.5 t -52.48 -66.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -40.34 -46.96 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -59.18 -64.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 mt -51.3 -55.58 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' CD ' HD11 ' A' ' 110' ' ' LEU . 2.7 mm-40 -55.44 -28.57 55.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.3 t -79.93 -5.73 56.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 36' ' ' HIS . 1.8 m -140.09 63.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD11 ' CD ' ' A' ' 107' ' ' GLN . 97.7 mt -95.51 -108.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.66 133.33 55.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.8 t -70.22 -55.18 9.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.931 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.75 157.14 23.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 87.4 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 t -109.36 139.49 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.53 165.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.57 163.27 34.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.98 161.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.62 -66.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 164.56 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -160.75 132.88 5.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.84 -22.19 36.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.08 140.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.37 -73.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.63 ' CD1' ' NH2' ' A' ' 105' ' ' ARG . 29.6 t80 -125.79 148.65 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' OE2' ' A' ' 11' ' ' GLU . 1.1 pm0 -138.13 164.62 28.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 159.88 124.7 0.75 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mm -39.92 138.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 102' ' ' TRP . 5.0 mt -146.37 118.81 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 27.0 m-85 -84.85 166.76 16.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttmt -144.7 155.42 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 10.2 tttm -82.81 145.71 29.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.72 -172.54 12.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.17 -162.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.82 51.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.28 89.26 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt 74.48 164.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.4 11.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 16.1 m0 -52.1 117.98 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.23 136.61 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -90.79 121.03 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -121.85 158.17 29.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ3' ' HD2' ' A' ' 44' ' ' ARG . 57.8 t-105 -88.57 123.34 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.1 m-85 -111.5 165.26 12.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.2 t -140.31 121.34 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -96.52 83.15 3.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' CD ' ' A' ' 39' ' ' ARG . 28.7 m-20 -79.96 115.12 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -35.36 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 p -70.9 -34.36 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 1.7 mmmt -95.51 -7.95 36.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 3.5 p-80 42.85 38.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -130.3 167.08 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -113.42 104.19 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -100.7 119.79 39.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 33.8 p90 -128.43 149.23 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.8 m-85 -135.72 169.83 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -41.84 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -119.17 137.9 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 6.4 ttp180 -55.02 -21.0 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -41.07 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -40.5 122.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -96.4 -15.73 21.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.29 122.82 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.7 p -82.45 134.04 35.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -107.87 91.23 3.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 40' ' ' TYR . . . 71.33 123.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.26 158.64 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.605 HD12 HD22 ' A' ' 38' ' ' LEU . 2.5 mt -117.9 100.66 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.37 111.95 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 38' ' ' LEU . 36.9 mt -62.63 -25.84 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -10.7 46.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' THR . 24.6 mm-40 -98.42 -19.96 17.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 78.7 t -64.98 132.31 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.697 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 40.4 mt-10 -91.03 -29.58 17.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 162.6 168.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -132.7 146.15 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -135.53 142.9 42.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.98 125.57 9.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.7 -127.15 5.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -164.35 166.76 11.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.2 Cg_endo -75.05 91.89 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 p -73.22 -173.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -75.13 125.94 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' O ' ' NE1' ' A' ' 24' ' ' TRP . . . 98.4 27.18 8.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -96.34 169.44 8.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -74.99 152.68 41.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 42.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.0 p -141.52 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 93' ' ' ALA . 45.0 t -46.57 157.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' CB ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -105.95 173.32 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.48 -25.16 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HB2' HG22 ' A' ' 96' ' ' VAL . 22.3 mtmt -97.46 52.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -148.42 -47.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 74' ' ' VAL . 91.6 m-85 -48.31 133.7 15.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 91' ' ' PHE . 27.1 p90 -148.31 128.7 13.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -90.03 133.97 34.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.49 112.32 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.393 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -88.01 124.52 33.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -132.11 -174.61 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 57' ' ' GLU . 69.3 p -78.7 -50.15 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -69.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -160.81 164.67 31.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.77 135.71 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -107.35 157.28 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -121.52 97.33 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 16' ' ' LYS . 17.6 m-85 -114.7 162.64 16.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.8 p -165.64 135.37 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -76.39 -170.72 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -18.01 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' A' ' 97' ' ' PRO . 2.0 m-20 -131.84 -179.89 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -77.83 -48.28 2.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -30.36 7.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 m -62.44 -30.17 71.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -75.47 -52.23 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -47.38 -42.57 22.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.85 -37.49 82.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 40.5 m95 -67.9 -42.57 80.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.16 -61.98 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.89 -43.14 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' NH2' ' CD1' ' A' ' 10' ' ' TYR . 26.2 mtt-85 -61.55 -70.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.98 -45.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.431 ' HA ' HD21 ' A' ' 110' ' ' LEU . 23.7 mt-30 -60.36 -27.32 67.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 105' ' ' ARG . 9.1 t -70.69 -10.78 60.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.78 76.62 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 107' ' ' GLN . 95.8 mt -98.72 -105.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.97 155.38 23.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.4 p -118.68 129.49 55.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -179.78 28.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.47 41.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.8 164.01 24.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.8 t -176.93 157.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.25 139.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 t -158.0 130.62 7.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.26 -120.5 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.99 94.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.69 86.75 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -157.69 8.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.22 100.48 6.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.64 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . 15.9 t80 -99.59 169.94 8.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -159.74 139.09 11.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.474 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -174.08 171.61 44.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.33 145.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 92' ' ' CYS . 14.9 mt -151.89 119.25 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 10.6 m-85 -85.37 135.43 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -115.34 138.23 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 41.9 tttm -67.55 138.54 56.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.43 -127.22 6.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.62 -175.16 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -90.4 50.99 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtt -162.95 -50.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -88.6 156.38 50.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.42 35.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 11.2 m0 -64.2 118.0 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.034 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -72.6 129.67 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -91.68 123.2 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -128.85 174.35 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 76.6 t-105 -101.71 108.34 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -90.64 169.93 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 77.0 t -141.9 123.99 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.15 84.78 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -72.47 134.64 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -36.76 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 34' ' ' THR . 31.3 p -60.54 -40.57 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -106.58 -11.06 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.451 ' N ' ' OD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER 57.24 75.19 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.573 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.486 ' HB3' HG13 ' A' ' 52' ' ' VAL . 31.6 mt-30 -155.85 172.35 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -121.7 104.76 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 93.4 mtt180 -105.17 125.05 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 55.1 p90 -126.02 142.6 51.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 4.0 m-85 -130.1 167.34 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -34.41 61.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' ARG . 44.7 m-70 -124.36 158.6 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.69 -51.37 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.65 102.99 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.3 t70 -111.68 12.92 21.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ASP . 9.0 t 37.48 33.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 2.8 tt0 -150.49 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.85 118.5 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 1.9 mmmm -119.85 92.12 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.37 138.69 10.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' GLN . 2.6 t -139.01 149.88 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.64 HD12 HD22 ' A' ' 38' ' ' LEU . 7.2 mt -122.28 95.52 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -53.45 106.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' SG ' ' A' ' 109' ' ' CYS . 78.9 mt -63.55 -27.26 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.16 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' HG23 ' A' ' 85' ' ' THR . 19.5 mt-10 -99.97 -21.99 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.697 HG22 ' CG2' ' A' ' 84' ' ' THR . 41.0 t -61.41 122.68 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 9.8 mm-40 -84.02 -27.81 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 164.2 179.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.22 157.33 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . . . -144.32 144.71 26.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.32 -173.28 15.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 p -112.57 155.96 43.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.04 97.44 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 p -74.67 -177.17 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 mt -67.63 139.42 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.92 -39.43 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -53.96 164.81 0.88 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.2 Cg_endo -75.04 129.75 12.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -78.48 57.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -142.09 -65.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.638 ' CG1' ' HB3' ' A' ' 78' ' ' ALA . 24.8 t -46.77 160.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' HB2' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -99.75 136.84 39.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 9.9 pt-20 -39.8 -31.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -61.55 -59.61 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -41.09 -57.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 59.1 m-85 -41.62 130.63 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -148.51 131.62 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -94.48 138.57 32.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 84' ' ' THR . 24.5 t -104.71 114.11 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -87.82 121.22 29.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.697 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.4 p -127.24 -168.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 57' ' ' GLU . 28.2 p -88.41 -41.64 12.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -62.46 -65.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 87' ' ' ARG . 5.4 ptp180 -163.68 165.18 23.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.54 141.02 16.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 87' ' ' ARG . 24.0 m-85 -117.98 164.23 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -132.06 105.5 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -115.93 165.13 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.627 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.73 160.46 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . . . -114.6 -177.57 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.38 22.75 12.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.99 162.54 2.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.612 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -74.84 -45.92 5.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -17.11 19.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -78.45 -42.43 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -64.16 -51.38 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -46.56 -44.94 18.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.53 -38.94 86.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.609 ' CD2' HD11 ' A' ' 14' ' ' LEU . 54.8 m95 -64.71 -59.17 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.956 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLN . 77.3 t -52.55 -48.34 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -53.78 -57.36 11.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.525 ' HD3' HD12 ' A' ' 31' ' ' LEU . 3.6 mtt-85 -55.31 -46.88 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.422 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 14.1 mt -62.27 -51.95 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 110' ' ' LEU . 1.5 mm-40 -58.53 -19.66 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.3 -5.54 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.787 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 107' ' ' GLN . 41.0 mt -69.38 -128.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -49.06 135.63 15.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -90.59 128.78 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.2 -155.91 1.05 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.99 29.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 169.6 10.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.9 t -147.86 134.23 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 68.23 -67.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 1' ' ' GLY . 2.4 m -144.48 159.98 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.31 58.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -156.37 94.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 t -173.3 157.08 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.34 70.8 2.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.73 96.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.14 158.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 105' ' ' ARG . 9.4 t80 -103.51 165.62 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.88 130.92 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -165.95 -173.78 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.441 HG21 ' HG3' ' A' ' 94' ' ' GLN . 4.6 mm -80.42 140.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' ' 102' ' ' TRP . 13.2 mt -151.87 119.33 6.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.734 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 8.1 m-85 -82.46 167.79 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.36 128.87 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 4.2 ttpt -59.9 165.49 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.16 -146.2 18.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.91 178.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' MET . 2.1 m-85 -75.5 -167.28 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' PHE . 2.0 mtp -36.41 -38.04 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 161.33 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.87 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 16.7 m0 -43.34 143.37 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -80.76 140.82 35.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -104.89 110.93 23.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -125.75 163.52 22.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 74.3 t-105 -88.83 119.46 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.5 m-30 -102.61 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 18.8 t -138.59 126.83 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -103.45 83.93 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -76.44 142.2 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.87 -25.66 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.1 p -80.03 -34.13 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -99.48 -27.85 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' C ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER 64.05 48.97 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.587 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.562 ' HB3' HG13 ' A' ' 52' ' ' VAL . 61.4 mt-30 -136.46 157.55 46.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -105.01 106.34 16.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.7 mtp180 -109.88 127.97 55.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CE2' ' O ' ' A' ' 50' ' ' LYS . 44.5 p90 -129.94 129.14 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 6.6 m-85 -106.7 132.4 52.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -46.68 -36.11 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -134.95 138.74 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -40.32 113.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.2 mtt 62.2 53.07 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' THR . 31.4 t0 -69.46 165.56 20.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -37.54 -54.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' H ' HG23 ' A' ' 47' ' ' THR . 1.8 mt-10 -148.1 162.24 39.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . 28.9 p -68.77 134.88 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 27.7 mmmt -115.57 91.43 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . 103.56 148.06 18.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.55 1.157 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.562 HG13 ' HB3' ' A' ' 37' ' ' GLN . 10.8 t -145.9 145.22 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.518 HD12 HD22 ' A' ' 38' ' ' LEU . 1.7 mt -127.29 96.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.53 96.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 36' ' ' HIS . 15.8 mt -50.32 -36.04 30.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.08 -21.67 3.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 85' ' ' THR . 10.5 mm-40 -86.41 -27.05 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 84' ' ' THR . 77.8 t -56.28 134.65 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 29.0 mt-10 -96.08 -30.97 13.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 167.32 176.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -138.28 150.59 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.42 142.72 43.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.11 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.83 -155.62 15.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -137.33 167.04 22.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.747 . . . . 0.0 110.399 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.4 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.4 p -108.51 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.3 mt -63.59 124.99 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.63 -46.13 1.21 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 158.37 0.43 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.68 9.59 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -94.06 -55.99 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' LYS . 27.8 p -37.12 -54.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.619 HG12 ' CE2' ' A' ' 79' ' ' PHE . 95.9 t -58.0 148.12 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 2.4 t0 -109.42 169.18 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -64.63 -30.64 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 96' ' ' VAL . 22.7 mtmt -89.93 56.58 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HA ' ' HB3' ' A' ' 99' ' ' ALA . . . -156.8 -45.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CE2' HG12 ' A' ' 74' ' ' VAL . 97.0 m-85 -57.55 138.22 55.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -149.34 130.04 14.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.484 ' OD2' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -90.76 134.03 34.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.92 114.38 44.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HG2' HG22 ' A' ' 88' ' ' VAL . 55.7 mttt -84.51 129.92 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.798 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -139.05 168.38 19.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.376 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLU . 32.0 p -61.27 -48.18 82.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -55.07 -71.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -162.38 172.12 16.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.484 ' CG1' ' OD2' ' A' ' 81' ' ' ASP . 3.8 t -79.02 147.54 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -122.84 164.56 18.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -128.8 93.38 3.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -110.75 160.99 16.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.427 ' O ' HD23 ' A' ' 14' ' ' LEU . 28.5 p -166.34 146.55 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' ' OG ' ' A' ' 98' ' ' SER . . . -86.21 -166.99 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -102.75 -6.01 23.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -139.82 164.43 30.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 77' ' ' LYS . 1.5 t -75.87 -46.33 3.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -16.86 19.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.414 ' OG ' ' HB1' ' A' ' 93' ' ' ALA . 19.0 p -80.24 -41.31 25.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . . . -61.61 -51.31 69.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -46.72 -39.93 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -69.02 -30.54 68.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.627 ' CD2' HD11 ' A' ' 14' ' ' LEU . 30.8 m95 -71.08 -48.18 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.88 -66.78 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -41.07 -42.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.654 ' CZ ' ' CD1' ' A' ' 10' ' ' TYR . 13.4 mtt-85 -60.94 -67.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.444 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 10.6 mt -53.06 -42.19 44.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -56.96 -18.26 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -96.88 -5.27 38.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 55' ' ' LEU . 1.7 p -120.48 23.82 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.363 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 60' ' ' ALA . 86.4 mt -62.24 -119.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.6 t -112.14 -59.65 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.7 m 65.53 118.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.47 -142.63 4.85 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 92.28 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -162.39 166.01 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.1 t -176.84 139.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -119.9 120.67 37.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.953 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -142.63 -58.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.49 -155.23 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -118.89 131.94 56.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -150.87 -60.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.53 -87.12 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -127.46 98.11 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 79.46 169.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 12.2 t80 -100.34 154.39 18.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.7 136.79 26.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.21 164.69 36.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -64.3 140.41 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.5 mt -151.22 119.14 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.957 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 30.9 m-85 -85.76 166.54 16.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -137.43 141.2 41.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.3 tttm -81.78 137.1 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . 115.83 -123.55 5.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 18' ' ' GLY . . . 68.95 176.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.44 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttt -37.63 -43.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 160.12 0.86 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 14.0 m0 -52.72 116.0 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.046 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 144.2 36.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . . . -109.19 122.68 47.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -132.54 162.11 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -86.42 117.48 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 108.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.2 m-85 -100.11 170.8 8.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -142.93 120.69 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -94.85 85.12 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -65.95 146.56 54.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -41.66 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 34' ' ' THR . 57.0 p -51.35 -44.35 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.8 mttm -115.56 8.46 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.9 p-80 40.4 78.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.646 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.436 HE21 HG21 ' A' ' 52' ' ' VAL . 9.4 mt-30 -147.85 172.1 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -120.14 105.85 11.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -102.94 119.68 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 50' ' ' LYS . 31.1 p90 -128.79 146.58 50.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -134.91 169.01 18.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.2 -43.97 79.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' MET . 29.0 m170 -135.01 174.05 11.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.565 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -41.8 96.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER 80.65 -69.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.1 t70 63.86 12.34 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ASP . 8.7 t 38.47 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ASP . 2.3 mt-10 -157.97 109.31 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.6 p -94.88 142.94 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 108.349 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' O ' ' CZ ' ' A' ' 40' ' ' TYR . 4.2 mmtt -119.96 90.93 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.38 132.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG21 HE21 ' A' ' 37' ' ' GLN . 15.7 m -106.16 167.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.493 HD12 HD22 ' A' ' 38' ' ' LEU . 2.2 mt -123.73 98.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.19 114.88 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.34 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.93 -24.85 20.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.773 HG22 ' CG2' ' A' ' 84' ' ' THR . 69.8 t -59.68 129.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.663 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 73.0 mm-40 -85.22 -30.67 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 165.45 177.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG21 HG22 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -139.99 157.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -146.42 144.28 20.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 110.15 3.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.98 -170.35 45.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -118.07 161.36 35.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 18.2 Cg_endo -75.03 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.1 p -90.76 -172.98 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.56 125.72 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 115.27 -45.09 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 71' ' ' PRO . . . -44.51 166.35 0.12 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 70' ' ' ALA . 18.3 Cg_endo -75.01 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -100.17 -51.76 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -43.21 -45.28 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.602 HG12 ' CE2' ' A' ' 79' ' ' PHE . 61.4 t -61.93 152.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -110.32 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.5 pt-20 -75.23 -30.22 60.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -89.22 46.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.584 ' O ' ' HB1' ' A' ' 99' ' ' ALA . . . -143.42 -47.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CE2' HG12 ' A' ' 74' ' ' VAL . 96.5 m-85 -53.08 134.65 38.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -147.36 130.52 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -88.46 140.78 29.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.0 t -112.22 104.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.603 ' HG3' HG22 ' A' ' 88' ' ' VAL . 3.7 mptt -82.07 125.69 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.773 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.8 p -130.44 -172.22 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 p -79.84 -38.19 33.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -67.33 -74.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -154.22 168.26 27.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.603 HG22 ' HG3' ' A' ' 83' ' ' LYS . 2.4 t -80.58 138.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -113.62 163.62 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 17' ' ' LYS . 12.9 m120 -129.47 98.8 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -118.8 159.56 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.2 p -160.76 150.55 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.1 174.93 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 9.75 25.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 160.21 43.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.3 t -74.31 -48.05 5.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -15.75 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 m -80.82 -35.98 32.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 78' ' ' ALA . . . -66.89 -51.6 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -47.1 -42.15 18.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.12 -36.07 82.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 41.6 m95 -65.93 -62.64 1.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.495 HG22 HG21 ' A' ' 61' ' ' VAL . 74.7 t -46.06 -60.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 26.7 t0 -43.21 -52.85 5.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 13.0 mtt-85 -53.08 -67.26 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.2 mt -48.81 -43.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.448 ' CD ' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.44 -24.84 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -73.27 -5.86 42.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.053 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.78 68.52 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 108.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.448 HD11 ' CD ' ' A' ' 107' ' ' GLN . 56.5 mt -89.06 -106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 157.73 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 m 59.01 169.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.3 178.85 16.42 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.61 4.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.7 p -112.99 171.48 7.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.77 123.04 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.35 112.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 0.797 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 m -110.16 143.88 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.05 -67.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.95 112.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -123.9 126.52 46.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.05 -24.22 10.19 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -144.41 -173.99 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -169.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 105' ' ' ARG . 33.2 t80 -99.3 151.46 21.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -142.43 161.36 38.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.49 157.26 9.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' A' ' 94' ' ' GLN . 1.9 mm -59.49 140.53 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 92' ' ' CYS . 10.2 mt -151.06 119.1 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.906 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 26.0 m-85 -83.39 166.9 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -145.53 131.61 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.3 tttm -90.68 154.8 19.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.21 -60.42 0.28 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.56 168.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.2 m-85 -56.6 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 70.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' CB ' ' CD ' ' A' ' 23' ' ' PRO . 3.2 mttt -137.29 177.73 2.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 22' ' ' LYS . 18.2 Cg_endo -75.02 125.57 9.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 2.7 m0 -55.79 136.16 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -82.23 127.69 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.906 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . . . -79.96 121.7 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.73 157.63 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CG ' ' HG2' ' A' ' 44' ' ' ARG . 56.5 t-105 -87.07 113.91 23.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD2' HD21 ' A' ' 38' ' ' LEU . 3.7 m-30 -104.51 166.91 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' ARG . 41.4 t -135.24 126.52 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 102' ' ' TRP . 0.2 OUTLIER -100.08 85.18 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -66.19 160.39 24.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -42.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.423 ' H ' HG23 ' A' ' 34' ' ' THR . 48.3 p -50.25 -38.39 40.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 9.9 mttt -124.51 10.07 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 1.5 p-80 38.96 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.567 ' NE2' HG21 ' A' ' 52' ' ' VAL . 67.3 mt-30 -144.13 168.35 20.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -118.04 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.6 mtt-85 -100.93 120.01 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 50' ' ' LYS . 29.4 p90 -128.67 154.45 46.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -142.1 168.83 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.1 -16.95 59.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.81 154.37 29.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.602 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' HG2' ' CG ' ' A' ' 28' ' ' TRP . 37.4 mtm180 -54.1 -46.82 72.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -95.37 46.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -76.54 148.93 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 48' ' ' GLU . 1.7 t -49.49 -57.19 7.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' H ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -154.2 159.95 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 28.5 p -63.61 160.02 17.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.262 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 4.3 mmmt -120.16 91.25 3.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.5 120.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.567 HG21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m -94.53 147.63 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 HD22 ' A' ' 38' ' ' LEU . 4.1 mt -101.06 99.06 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.37 103.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 38' ' ' LEU . 25.8 mt -56.28 -24.37 42.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.5 65.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -87.41 -26.86 23.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.708 HG22 ' CG2' ' A' ' 84' ' ' THR . 55.7 t -54.89 128.4 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 49.9 mt-10 -85.46 -33.44 21.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . 163.03 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -117.17 156.27 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.27 144.41 23.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -145.45 1.53 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.487 ' OG1' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -140.33 166.83 20.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.401 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' A' ' 65' ' ' THR . 18.3 Cg_endo -74.98 98.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -83.25 -179.73 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mp -68.51 129.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.0 -43.42 1.71 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . . . -44.76 159.18 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.89 28.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -66.69 -44.46 81.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 p -43.13 -59.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' A' ' 79' ' ' PHE . 96.7 t -53.43 154.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.487 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 2.2 t0 -105.34 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' CB ' ' HD3' ' A' ' 66' ' ' PRO . 1.8 pt-20 -82.0 -32.04 30.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 96' ' ' VAL . 21.1 mtpp -86.45 49.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . . . -145.13 -62.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.492 ' CE2' HG12 ' A' ' 74' ' ' VAL . 98.4 m-85 -43.05 119.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 91' ' ' PHE . 30.1 p90 -129.14 128.81 44.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -86.45 130.76 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.7 t -105.94 111.85 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -89.75 125.89 35.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.6 p -131.58 -170.02 2.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.1 p -82.77 -45.87 13.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -58.12 -67.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -161.65 168.16 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.21 140.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -117.12 163.25 16.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.13 85.48 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.424 ' CB ' ' CZ ' ' A' ' 80' ' ' PHE . 20.8 m-85 -101.42 159.62 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.793 ' O ' HD23 ' A' ' 14' ' ' LEU . 14.4 p -159.59 152.98 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.27 175.25 5.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.577 ' HG3' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -92.51 35.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 176.88 163.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 1.5 t -76.18 -46.47 3.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -16.47 20.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 m -82.08 -35.68 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' A' ' 78' ' ' ALA . . . -68.8 -54.54 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.81 -43.09 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.94 -39.33 89.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 54.4 m95 -63.54 -60.94 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.059 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.27 -58.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.99 -56.75 4.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -50.02 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.19 -53.88 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 110' ' ' LEU . 1.3 mm-40 -56.08 -23.33 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -7.92 56.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.956 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.99 70.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 108.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 107' ' ' GLN . 82.2 mt -93.17 -108.6 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.9 p -73.61 114.93 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.2 -62.76 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.43 167.52 17.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m 53.44 102.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.62 126.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.999 . . . . . . . . 0 0 . 1 stop_ save_