data_1wiv_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 1wiv _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 ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.26 137.5 58.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -64.66 -39.74 94.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -35.19 74.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' THR . 49.4 m -63.31 -55.19 26.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 75.1 t -45.86 -33.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.3 t0 -76.06 -39.92 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 57.1 m -51.48 -27.3 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 41' ' ' PHE . 6.0 mt -93.81 -23.59 18.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' CA ' ' A' ' 43' ' ' GLU . 25.0 mt -60.93 -40.2 92.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.7 m -72.2 -45.83 58.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -45.44 -52.92 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 137.81 61.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 32.3 m-85 -150.2 157.91 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 133.88 40.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' CA ' HD21 ' A' ' 37' ' ' LEU . 1.4 tt0 -45.08 -34.63 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.65 -54.15 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.413 ' CG1' HG23 ' A' ' 64' ' ' VAL . 3.1 t -64.53 -33.45 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.42 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -84.41 -32.97 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.8 mtmt -66.4 -43.83 84.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -67.78 -41.85 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' CD2' HD12 ' A' ' 57' ' ' ILE . 22.7 mt -76.08 -10.67 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.71 -42.87 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 63' ' ' TRP . . . -84.36 -38.87 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -73.68 -54.46 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.54 73.35 1.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 77.02 -54.43 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.5 m-20 -40.42 111.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 50' ' ' LEU . 42.5 mm -71.18 -54.99 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.51 -35.94 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -79.54 -39.22 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -64.53 -46.02 84.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 85.1 m -56.94 -31.11 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.44 -47.7 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.561 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 81.4 t90 -43.79 -47.67 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 45' ' ' VAL . 99.3 t -48.43 -49.67 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.89 136.57 57.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.15 -34.04 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.33 80.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 m -67.45 -54.72 17.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 78.7 t -45.44 -36.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 13.1 t70 -77.79 -41.67 36.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 67.7 m -48.93 -26.77 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 41' ' ' PHE . 4.5 mt -93.77 -25.93 17.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 19.6 mt -58.3 -46.8 85.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -66.13 -48.03 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -43.67 -55.05 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 140.11 61.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 36' ' ' LEU . 35.5 m-85 -149.92 154.09 37.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.46 149.25 49.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.38 -30.9 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.22 -54.01 14.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG1' HG23 ' A' ' 64' ' ' VAL . 3.3 t -59.4 -35.35 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.19 -36.27 75.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 2.3 mtt180 -82.59 -25.51 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.7 mtmt -76.43 -41.04 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -68.2 -37.81 81.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD2' HD12 ' A' ' 57' ' ' ILE . 29.9 mt -83.94 -1.19 54.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -86.88 -35.23 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 -38.97 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.7 p -70.0 -48.96 56.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.21 86.08 0.82 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.95 -59.86 0.76 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 79.0 m-20 -40.5 122.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' CD2' ' A' ' 50' ' ' LEU . 19.3 mm -84.59 -52.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.0 -40.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -76.75 -42.34 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -57.37 -43.13 83.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 55.3 m -60.8 -33.3 72.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t0 -78.17 -45.34 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.5 t90 -48.31 -48.47 35.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' CG1' ' A' ' 45' ' ' VAL . 98.0 t -46.44 -43.8 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.74 129.52 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -52.82 -39.71 62.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -35.22 76.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.453 ' CB ' HD11 ' A' ' 50' ' ' LEU . 67.9 m -66.76 -53.91 28.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 89.3 t -48.12 -35.57 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 6.1 t0 -80.19 -30.87 38.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -60.99 -27.04 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD13 ' CB ' ' A' ' 60' ' ' ALA . 7.7 mt -96.06 -14.85 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 14.2 mt -65.95 -47.67 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -45.29 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.1 m-85 -42.79 -48.47 5.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.595 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.28 60.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.3 m-85 -149.45 152.91 36.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.22 57.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -26.66 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -54.1 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.36 -33.72 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.79 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 4.6 mtt85 -82.41 -34.17 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.549 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.5 mtmt -65.3 -43.98 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 60' ' ' ALA . . . -63.91 -42.04 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 32' ' ' SER . 15.4 mt -74.61 -12.46 60.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.69 -35.47 15.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -97.42 21.0 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.4 p -142.79 -51.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.26 96.7 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.62 52.79 1.88 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -140.59 91.89 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.75 -43.51 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -50.56 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -74.42 -43.3 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . . . -55.03 -41.23 71.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 82.4 m -60.67 -36.66 79.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.9 t0 -76.57 -48.07 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 88.3 t90 -44.11 -50.52 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -45.6 -48.83 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.66 135.85 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.69 -39.98 82.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -35.28 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' THR . 53.3 m -65.12 -53.97 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 72.9 t -46.18 -35.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 34.3 t0 -79.05 -36.19 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.572 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -54.95 -25.62 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD11 ' CB ' ' A' ' 60' ' ' ALA . 12.7 mt -95.66 -20.91 18.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 18.8 mt -62.36 -42.21 99.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -44.94 63.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -45.2 -53.22 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.98 62.42 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 39.5 m-85 -149.21 156.01 41.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.35 137.98 51.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.69 -33.74 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.79 -54.09 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' CG1' HG22 ' A' ' 64' ' ' VAL . 3.2 t -59.47 -33.27 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.21 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 10.4 mtt180 -82.28 -33.0 29.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.0 mtmm -66.67 -43.6 84.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . . . -65.72 -42.14 91.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.434 ' CD2' HD11 ' A' ' 57' ' ' ILE . 17.1 mt -75.68 -12.03 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -42.4 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -83.08 -38.98 21.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -75.27 -51.08 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.79 69.49 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 80.41 -51.15 4.15 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 70.4 m-20 -40.34 109.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' A' ' 50' ' ' LEU . 47.9 mm -67.27 -55.72 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 -52.29 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.59 -41.24 94.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' CB ' HD11 ' A' ' 36' ' ' LEU . . . -64.66 -35.51 81.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 58.0 m -65.03 -24.13 67.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.32 -47.58 7.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 84.5 t90 -43.88 -50.58 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG22 ' CG1' ' A' ' 45' ' ' VAL . 80.1 t -41.02 -52.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.2 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.25 136.7 36.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.6 -46.47 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.464 ' CA ' HD12 ' A' ' 57' ' ' ILE . 67.4 m -65.81 -51.69 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -50.75 -35.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 22.9 t70 -78.94 -31.07 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 52.1 m -62.17 -25.41 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.17 -16.03 24.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 22.6 mt -67.38 -44.61 78.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -46.06 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.3 m-85 -44.16 -49.98 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.23 51.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.9 m-85 -141.01 150.81 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 149.64 50.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CA ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.53 -29.92 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.67 -54.1 15.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.73 -38.78 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -32.42 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -86.55 -23.22 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.6 mtmt -79.53 -40.33 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.31 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -83.9 6.18 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.44 -39.07 17.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -65.04 -61.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.32 61.39 0.45 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.59 44.25 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.65 100.93 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 HD12 ' CA ' ' A' ' 32' ' ' SER . 19.9 mm -60.0 -53.64 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -50.83 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -68.99 -43.8 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.47 39.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 74.4 m -66.14 -24.2 66.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.49 -44.35 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.9 t90 -51.51 -48.87 62.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.3 t -44.23 -43.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.439 HG22 ' CG2' ' A' ' 33' ' ' VAL . 7.3 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -47.66 138.18 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -71.64 -38.76 70.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -35.3 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -67.44 -50.84 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 28' ' ' ILE . 59.1 t -50.29 -39.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 8.7 t70 -77.0 -34.45 57.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 40.5 m -57.4 -27.97 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.4 -23.34 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 36.2 mt -61.57 -48.35 81.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.62 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -39.32 -50.52 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.09 50.51 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -137.87 165.33 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 161.83 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -29.89 66.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -53.94 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.27 -38.99 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.39 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.02 -26.09 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.563 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 12.7 mtmt -75.76 -41.22 53.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -68.21 -41.75 80.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.3 2.98 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.04 -40.05 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.6 -39.06 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 p -66.36 -49.88 65.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.15 92.97 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.38 39.75 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -128.54 95.86 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.1 mm -60.37 -52.94 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.6 -43.37 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -81.18 -35.41 31.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.73 92.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 61.9 m -64.46 -31.27 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.48 -43.3 19.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 72.8 t90 -51.11 -45.98 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.1 t -48.84 -45.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-30 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.47 130.49 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -60.66 -34.32 74.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' THR . 57.6 m -63.77 -53.62 48.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 73.6 t -46.8 -37.62 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.2 t0 -73.38 -36.8 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.7 m -58.07 -25.16 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.99 -19.41 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 19.9 mt -62.7 -39.49 94.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -46.2 34.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.7 m-85 -42.26 -51.16 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.68 59.37 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 33.3 m-85 -148.84 162.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.58 139.8 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CA ' HD23 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -49.66 -35.01 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -54.1 38.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HG21 ' A' ' 64' ' ' VAL . 3.4 t -63.07 -35.07 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 50' ' ' LEU . . . -58.2 -31.95 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -87.28 -30.78 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.8 mtmm -68.92 -43.29 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' A' ' 53' ' ' SER . . . -67.84 -42.1 81.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 15.4 mt -75.85 -4.7 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.03 -39.28 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -88.07 -39.05 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 49' ' ' ALA . 2.1 m -73.02 -56.91 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.18 69.37 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 79.5 -51.89 4.03 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' GLY . 69.6 m-20 -40.06 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.59 -55.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.38 -43.75 11.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -69.42 -46.77 66.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -41.47 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.1 m -59.1 -29.76 67.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -81.74 -50.43 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.0 t90 -44.39 -49.68 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.421 HG21 ' CG1' ' A' ' 45' ' ' VAL . 82.8 t -42.84 -50.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.86 124.68 23.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.99 -38.28 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -35.29 76.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -64.89 -50.69 65.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.1 t -50.22 -36.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 29.2 t70 -75.86 -31.81 59.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.0 m -62.95 -25.56 68.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 mt -95.99 -15.09 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 ' CA ' ' A' ' 43' ' ' GLU . 17.3 mt -65.53 -40.29 92.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -45.04 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 4.1 m-85 -42.09 -48.54 4.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.46 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.3 m-85 -147.22 158.42 43.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.46 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CA ' HD23 ' A' ' 37' ' ' LEU . 1.6 tt0 -48.02 -34.84 10.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.09 34.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' HG21 ' A' ' 64' ' ' VAL . 3.5 t -60.44 -36.99 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' LEU . . . -58.44 -33.27 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -27.65 25.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmm -72.11 -42.61 65.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.463 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.55 -42.17 83.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 10.8 mt -77.49 -6.94 55.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -88.82 -34.59 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.19 -37.03 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -82.57 -38.7 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 113.52 -96.98 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -126.85 -40.79 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.82 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' GLY . 30.8 mm -50.17 -50.52 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -39.14 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -73.59 -41.96 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -62.63 -41.52 99.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 87.7 m -58.81 -29.58 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.96 -51.4 9.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 86.6 t90 -45.58 -49.22 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.456 HG21 ' CG1' ' A' ' 45' ' ' VAL . 87.5 t -41.84 -49.42 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.1 139.07 18.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -66.75 -47.75 71.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -35.35 48.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' THR . 41.3 m -65.96 -57.72 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.44 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 92.4 t -43.53 -38.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 1.7 t70 -76.19 -42.46 46.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 73.7 m -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.65 -25.9 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 30.4 mt -60.75 -40.45 92.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -69.57 -45.21 69.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -46.84 -49.68 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.96 58.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 35.7 m-85 -144.96 164.26 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.47 159.38 30.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -31.19 71.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.49 -54.08 9.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.22 -36.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.61 -36.29 73.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mtt180 -82.54 -33.14 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.7 mtmm -66.02 -43.85 86.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.64 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 57' ' ' ILE . 23.3 mt -76.13 -2.66 32.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.42 -39.4 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.13 -39.12 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 p -67.69 -60.54 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.8 62.48 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.8 -45.12 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.9 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 11.5 mm -71.4 -36.81 62.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -88.55 -28.47 20.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.15 65.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 94.6 m -66.85 -30.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -82.89 -44.63 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 83.9 t90 -49.34 -50.52 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.2 t -43.98 -41.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.92 137.28 55.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -64.21 -35.47 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -35.23 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 60.5 m -64.07 -52.74 57.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG22 ' NH1' ' A' ' 47' ' ' ARG . 80.6 t -48.05 -36.64 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.1 t0 -77.79 -34.01 52.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 94.4 m -56.9 -23.99 48.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.62 -18.23 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 44.9 mt -68.5 -53.79 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.88 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -47.15 -47.21 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.79 55.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -138.22 156.44 47.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.57 144.92 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.66 -27.48 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -76.75 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.37 -36.42 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.07 72.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' HG22 ' A' ' 33' ' ' VAL . 8.7 mtt85 -84.3 -27.21 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmt -75.89 -40.61 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' A' ' 60' ' ' ALA . . . -68.89 -42.04 77.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 32' ' ' SER . 70.6 mt -78.08 -2.13 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -35.79 17.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.86 -34.48 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 59' ' ' LYS . 5.8 m -75.48 -55.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . . . 92.12 94.87 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.18 30.06 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 84.2 m-20 -118.48 76.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 35' ' ' THR . 20.6 mm -40.39 -54.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.1 -53.88 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 9.6 mttm -68.07 -37.41 81.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CA ' ' HB2' ' A' ' 49' ' ' ALA . . . -60.82 -33.68 73.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.2 m -71.59 -11.8 61.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.0 -34.48 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.437 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 59.3 t90 -62.3 -35.34 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.005 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 t -61.68 -58.36 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.7 m-30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.72 125.82 27.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -50.42 -35.43 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' THR . 46.6 m -65.32 -53.81 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 69.6 t -48.79 -35.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 9.3 t0 -76.64 -31.52 57.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 98.8 m -63.22 -24.01 67.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.3 mt -96.09 -16.17 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 20.1 mt -64.93 -44.79 88.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -47.8 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.96 -48.57 2.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.3 55.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 23.6 m-85 -148.44 156.91 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.04 146.26 41.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' CA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -53.1 -33.38 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -66.43 -54.24 26.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.04 -34.87 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.27 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -84.5 -33.09 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 16.5 mtmt -65.34 -44.36 88.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -67.17 -42.19 84.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 60' ' ' ALA . 20.1 mt -77.48 -8.22 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -88.47 -37.81 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 63' ' ' TRP . . . -90.93 -36.32 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -85.88 -44.39 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 119.29 -94.66 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -127.15 -40.62 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.74 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.4 mm -51.41 -49.73 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.83 -35.88 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.51 -45.88 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -62.77 -32.88 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 98.0 m -62.96 -33.27 75.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.2 t0 -79.64 -47.13 15.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 77.7 t90 -44.43 -51.07 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.8 -47.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CG2' ' CG2' ' A' ' 33' ' ' VAL . 78.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.26 130.26 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -52.4 -41.94 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -35.33 75.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 50' ' ' LEU . 58.3 m -66.97 -53.13 34.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 77.2 t -44.8 -38.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 10.2 t70 -78.29 -36.26 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.7 m -52.7 -26.48 14.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.49 -22.85 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 26.1 mt -62.48 -51.12 68.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 m -61.12 -47.76 84.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -44.33 -52.91 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.13 58.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.2 m-85 -147.45 155.65 42.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.36 49.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 -34.93 10.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -54.06 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 64' ' ' VAL . 41.2 t -60.23 -36.7 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.34 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 19.5 mtt180 -84.61 -42.64 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 18.5 mtpt -51.72 -49.76 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -63.07 -41.95 99.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 32' ' ' SER . 31.6 mt -72.36 -10.8 60.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -86.7 -45.49 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -81.74 -27.27 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 p -88.69 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.82 85.09 0.62 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.8 -57.65 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.22 120.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mm -87.29 -48.56 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.51 -34.79 18.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -41.23 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.02 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.603 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 m -56.41 -37.27 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' PHE . 49.4 t0 -76.82 -49.17 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.539 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 61.1 t90 -42.79 -54.69 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.466 HG22 ' CG1' ' A' ' 45' ' ' VAL . 66.4 t -40.85 -42.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 33' ' ' VAL . 5.2 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -42.22 149.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -81.87 -35.71 29.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 35' ' ' THR . 0.1 OUTLIER -67.39 -35.34 79.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.465 ' CB ' HD11 ' A' ' 50' ' ' LEU . 51.4 p -64.85 -50.64 65.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 28' ' ' ILE . 68.0 t -51.58 -35.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 23.6 t0 -80.38 -34.07 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 75.4 m -58.23 -26.36 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 57' ' ' ILE . 1.8 mt -96.07 -16.01 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 15.5 mt -66.83 -43.12 84.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -48.84 39.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.24 -54.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.2 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 40.2 m-85 -144.9 157.4 44.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.29 148.87 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -25.04 59.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -76.25 -54.15 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.78 -38.01 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.47 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.39 -25.02 31.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.2 mtmm -77.22 -41.05 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -70.14 -40.29 74.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 32' ' ' SER . 19.8 mt -80.9 0.56 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -41.11 10.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -90.23 -39.11 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.7 p -67.59 -46.38 72.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.48 91.43 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.64 42.6 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ALA . 71.3 m-20 -133.1 93.95 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 36' ' ' LEU . 9.5 mm -59.74 -51.41 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.87 -39.89 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -86.81 -31.65 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -64.6 -34.13 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 96.7 m -70.21 -25.01 63.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' PHE . 18.9 t70 -89.61 -41.99 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 57.5 t90 -51.8 -35.46 44.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.09 -28.64 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.9 m-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.59 135.56 8.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -72.73 -36.88 67.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -35.1 76.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -68.46 -49.0 63.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' CG1' ' HG3' ' A' ' 47' ' ' ARG . 21.5 t -51.82 -38.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 15.3 t0 -74.5 -34.94 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.6 m -58.46 -25.16 61.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' A' ' 41' ' ' PHE . 9.9 mt -95.79 -16.7 21.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 26.4 mt -67.54 -50.56 58.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -62.33 -48.62 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -42.23 -50.46 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 55.55 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CD2' HD21 ' A' ' 36' ' ' LEU . 28.5 m-85 -141.85 152.15 43.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 150.72 45.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -28.17 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.71 -54.02 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.5 -37.54 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.94 72.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 7.0 mtt-85 -84.69 -23.68 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.5 mtmm -79.17 -40.34 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -68.8 -37.44 79.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -84.77 3.4 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.68 -42.86 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.95 -38.96 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.3 p -66.21 -48.77 69.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.12 89.4 0.79 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 40.07 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ALA . 77.1 m-20 -130.49 94.15 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 7.3 mm -59.58 -50.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -37.7 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -31.11 21.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -65.58 -42.18 92.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.567 HG22 ' CE2' ' A' ' 65' ' ' PHE . 94.0 m -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 65' ' ' PHE . 24.5 t70 -79.83 -42.48 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 78.4 t90 -51.09 -40.98 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.53 -31.78 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 61' ' ' THR . 1.9 m-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.01 143.49 51.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -71.77 -47.16 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -35.33 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -68.1 -52.05 39.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.08 -38.4 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.4 t70 -74.83 -37.42 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.525 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 78.5 m -55.36 -24.56 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -94.88 -20.93 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 30.3 mt -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -49.42 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -38.83 -55.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.76 54.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -143.96 167.42 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.36 164.04 22.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -30.24 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.04 -53.94 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.12 -37.68 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.36 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -88.28 -24.68 23.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.7 mtmt -77.2 -41.06 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.5 mt -83.23 5.43 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -36.79 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.43 -38.99 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 p -67.5 -57.57 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.82 80.17 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.85 -57.09 1.76 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.46 125.37 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.6 mm -84.02 -55.53 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.33 -38.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -75.7 -40.83 55.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' ILE . . . -61.85 -40.85 96.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.8 m -61.6 -35.06 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.9 -42.6 48.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 69.1 t90 -53.38 -51.02 63.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 108.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.5 t -41.0 -47.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.5 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.8 127.9 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -50.31 -41.89 51.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -35.34 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 70.0 m -65.87 -55.37 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.6 t -45.79 -33.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 43.8 t0 -76.52 -39.96 51.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.551 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 23.6 m -52.89 -28.69 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 57' ' ' ILE . 7.1 mt -90.79 -26.5 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 22.3 mt -57.88 -49.47 76.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -64.51 -49.98 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -38.99 -51.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.83 57.19 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 26.1 m-85 -148.54 163.6 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.95 154.98 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CA ' HD21 ' A' ' 37' ' ' LEU . 1.9 tt0 -62.06 -32.07 72.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.47 -54.15 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.7 -36.63 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.54 76.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -80.37 -25.9 38.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.8 mtmt -76.72 -40.92 47.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.461 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -66.49 -41.99 88.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.5 mt -75.25 -18.52 60.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -50.18 54.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 63' ' ' TRP . . . -79.14 -37.02 39.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.5 m -94.12 93.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.0 94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.73 52.95 1.94 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -130.36 98.86 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.412 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 11.7 mm -61.0 -46.95 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -40.52 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -82.64 -36.52 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.461 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -61.72 -42.73 99.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 55.5 m -57.92 -30.97 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 33.6 t70 -83.27 -46.28 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 53.2 t90 -46.09 -32.3 2.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.8 t -67.69 -45.67 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 33' ' ' VAL . 5.6 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.82 145.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -83.24 -22.59 33.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.59 60.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.47 ' CA ' HD13 ' A' ' 57' ' ' ILE . 72.3 m -69.01 -54.24 16.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 70.9 t -47.26 -37.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 26.3 t70 -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.9 m -59.56 -24.22 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.77 -16.69 21.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 26.9 mt -67.19 -43.67 81.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -48.09 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -41.46 -54.92 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.84 51.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 36.9 m-85 -140.66 155.15 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.76 150.6 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.53 -33.4 68.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -66.0 -53.06 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' HG23 ' A' ' 64' ' ' VAL . 20.5 t -67.17 -34.99 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.76 58.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 3.1 mtt180 -87.77 -43.29 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CH2' ' A' ' 63' ' ' TRP . 17.2 mtpt -52.62 -49.32 65.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -64.18 -32.81 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.76 3.07 46.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -96.89 -43.05 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.9 -39.08 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -69.8 -42.98 73.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 91.23 0.8 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.86 50.85 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 80.1 m-20 -139.02 108.29 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 HD13 ' CA ' ' A' ' 32' ' ' SER . 20.5 mm -68.12 -51.97 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.79 -43.83 58.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 2.7 mttt -74.47 -48.99 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -53.17 -45.55 68.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.601 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.9 m -55.14 -22.3 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' PHE . 56.8 t0 -88.28 -49.74 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.416 ' CH2' ' HE2' ' A' ' 48' ' ' LYS . 45.0 t90 -45.01 -49.55 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' A' ' 45' ' ' VAL . 73.9 t -44.13 -39.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.537 ' CG2' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.11 130.95 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -53.14 -47.0 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -35.36 67.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 m -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 87.2 t -45.16 -38.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 15.0 t0 -77.37 -41.16 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 55.4 m -48.75 -29.37 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 60' ' ' ALA . 8.0 mt -91.09 -25.84 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 29.2 mt -60.32 -44.71 95.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.5 m-85 -44.21 -50.02 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.52 59.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 29.7 m-85 -146.96 167.79 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.92 161.08 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -31.45 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.6 -54.04 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 64' ' ' VAL . 3.9 t -58.41 -35.66 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 50' ' ' LEU . . . -59.03 -34.04 71.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 3.8 mtt-85 -85.8 -35.85 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.4 mtmm -61.77 -45.35 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 16.0 mt -75.54 -8.13 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -85.08 -41.16 16.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -85.84 -39.0 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.8 p -77.57 -53.79 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 90.34 1.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 68.96 -59.12 0.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' GLY . 66.0 m-20 -40.26 116.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.88 -51.29 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.73 -36.65 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -78.37 -34.03 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -68.31 -42.15 79.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 86.0 m -59.77 -24.72 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.35 -50.35 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 75.0 t90 -46.34 -41.98 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG22 ' CG1' ' A' ' 45' ' ' VAL . 87.4 t -51.53 -53.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.449 HG21 ' CB ' ' A' ' 50' ' ' LEU . 8.6 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.44 132.85 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -64.08 -38.37 90.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -35.24 77.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.46 -53.74 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -46.5 -38.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.7 t0 -78.64 -38.48 39.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 m -50.92 -29.73 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD23 ' CD2' ' A' ' 41' ' ' PHE . 5.6 mt -90.57 -24.04 20.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 31.0 mt -62.6 -39.62 94.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -41.39 74.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -51.92 -48.12 64.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.07 57.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 34.4 m-85 -144.27 157.99 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -31.58 70.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -70.51 -53.62 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 64' ' ' VAL . 3.1 t -59.58 -37.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -88.41 -25.76 22.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 20.1 mtmt -75.13 -41.69 57.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.94 84.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' CB ' HG21 ' A' ' 28' ' ' ILE . 22.3 mt -74.6 -25.67 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -49.79 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.81 -33.07 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 m -97.33 95.63 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.63 94.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.69 35.76 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -110.15 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.46 -48.81 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -37.31 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -86.2 -29.95 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.02 84.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 23.8 m -68.01 -21.47 65.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.92 -49.28 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 73.4 t90 -43.83 -51.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.416 HG21 ' CG1' ' A' ' 45' ' ' VAL . 90.7 t -41.79 -46.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 148.9 27.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -74.56 -45.73 43.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.3 71.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.0 m -65.34 -53.41 44.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 HG22 ' NH1' ' A' ' 47' ' ' ARG . 87.5 t -49.63 -34.91 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.1 t70 -78.1 -32.59 50.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.2 m -59.64 -24.97 64.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 41' ' ' PHE . 4.1 mt -95.96 -15.38 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 25.8 mt -68.48 -41.19 80.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -50.51 16.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -39.69 -55.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 143.58 54.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CD2' HD21 ' A' ' 36' ' ' LEU . 29.8 m-85 -146.9 148.96 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.77 151.75 46.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -53.98 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 ' CG1' HG22 ' A' ' 64' ' ' VAL . 3.3 t -60.16 -34.56 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' NH1' HG22 ' A' ' 33' ' ' VAL . 9.5 mtt85 -79.51 -20.76 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.5 mtmm -81.4 -40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -70.26 -39.14 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.84 1.76 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.88 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.94 -38.92 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.1 p -69.5 -47.5 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.943 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 85.35 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.9 -58.89 0.76 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.1 m-20 -40.62 123.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ALA . 4.8 mm -86.4 -51.96 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.11 -35.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -42.17 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -58.18 -39.76 79.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.2 m -61.95 -31.67 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.14 -42.74 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 62.6 t90 -50.6 -49.66 55.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.434 HG22 ' CG1' ' A' ' 45' ' ' VAL . 91.9 t -44.74 -32.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -177.91 164.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.8 169.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.25 -177.03 37.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t 177.99 149.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.725 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 p 179.39 155.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.98 137.78 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.23 131.85 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.83 75.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 m 40.6 84.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 3.4 t-80 -129.34 85.54 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.94 91.63 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.6 -61.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 152.34 17.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -12.69 21.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -149.06 96.2 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.58 60.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 18' ' ' ASP . 18.4 t70 175.8 60.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.21 90.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 53.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.0 mt -142.1 117.35 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.66 133.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.22 138.32 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.99 161.7 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 m 63.72 142.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -56.21 174.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.53 -19.85 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.87 101.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.26 137.5 58.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -64.66 -39.74 94.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -35.19 74.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' THR . 49.4 m -63.31 -55.19 26.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 75.1 t -45.86 -33.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.3 t0 -76.06 -39.92 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 57.1 m -51.48 -27.3 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 41' ' ' PHE . 6.0 mt -93.81 -23.59 18.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' CA ' ' A' ' 43' ' ' GLU . 25.0 mt -60.93 -40.2 92.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.7 m -72.2 -45.83 58.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -45.44 -52.92 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 137.81 61.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 32.3 m-85 -150.2 157.91 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 133.88 40.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' CA ' HD21 ' A' ' 37' ' ' LEU . 1.4 tt0 -45.08 -34.63 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.65 -54.15 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.413 ' CG1' HG23 ' A' ' 64' ' ' VAL . 3.1 t -64.53 -33.45 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.42 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -84.41 -32.97 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.8 mtmt -66.4 -43.83 84.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -67.78 -41.85 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' CD2' HD12 ' A' ' 57' ' ' ILE . 22.7 mt -76.08 -10.67 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.71 -42.87 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 63' ' ' TRP . . . -84.36 -38.87 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -73.68 -54.46 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.54 73.35 1.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 77.02 -54.43 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.5 m-20 -40.42 111.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 50' ' ' LEU . 42.5 mm -71.18 -54.99 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.51 -35.94 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -79.54 -39.22 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -64.53 -46.02 84.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 85.1 m -56.94 -31.11 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.44 -47.7 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.561 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 81.4 t90 -43.79 -47.67 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 45' ' ' VAL . 99.3 t -48.43 -49.67 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -74.21 -53.84 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 51.6 m-20 -40.39 -53.33 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.544 ' OD1' ' CE2' ' A' ' 63' ' ' TRP . 3.7 p30 -142.21 147.08 35.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 158.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.45 158.14 22.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.59 26.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.39 174.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -153.22 86.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -173.87 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 166.3 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.12 130.35 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.92 159.62 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.93 121.25 3.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.75 -136.28 5.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 HD21 ' NE2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -174.27 135.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.96 146.7 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t 62.0 121.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.409 ' NE2' HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.24 174.87 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.11 149.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.56 -54.24 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 66.31 132.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -13.69 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ILE . 24.9 t0 -170.16 57.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ASP . 9.6 mm 60.24 116.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -114.87 75.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' HB1' ' CD2' ' A' ' 23' ' ' HIS . . . -149.37 155.91 39.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 53.81 3.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.8 mt 62.44 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t 62.89 148.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CD2' ' HB1' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 173.26 145.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -47.66 112.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -105.04 147.32 27.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -96.17 138.77 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.35 -19.47 61.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mt -59.1 103.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.89 136.57 57.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.15 -34.04 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.33 80.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 m -67.45 -54.72 17.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 78.7 t -45.44 -36.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 13.1 t70 -77.79 -41.67 36.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 67.7 m -48.93 -26.77 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 41' ' ' PHE . 4.5 mt -93.77 -25.93 17.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 19.6 mt -58.3 -46.8 85.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -66.13 -48.03 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -43.67 -55.05 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 140.11 61.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 36' ' ' LEU . 35.5 m-85 -149.92 154.09 37.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.46 149.25 49.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.38 -30.9 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.22 -54.01 14.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG1' HG23 ' A' ' 64' ' ' VAL . 3.3 t -59.4 -35.35 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.19 -36.27 75.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 2.3 mtt180 -82.59 -25.51 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.7 mtmt -76.43 -41.04 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -68.2 -37.81 81.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD2' HD12 ' A' ' 57' ' ' ILE . 29.9 mt -83.94 -1.19 54.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -86.88 -35.23 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 -38.97 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.7 p -70.0 -48.96 56.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.21 86.08 0.82 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.95 -59.86 0.76 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 79.0 m-20 -40.5 122.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' CD2' ' A' ' 50' ' ' LEU . 19.3 mm -84.59 -52.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.0 -40.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -76.75 -42.34 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -57.37 -43.13 83.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 55.3 m -60.8 -33.3 72.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t0 -78.17 -45.34 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.5 t90 -48.31 -48.47 35.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG23 ' CG1' ' A' ' 45' ' ' VAL . 98.0 t -46.44 -43.8 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 -80.91 -56.81 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 12.9 m-20 -41.42 -50.97 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.85 123.75 26.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.3 p -150.99 125.66 9.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.01 -145.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.75 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.16 79.65 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.1 p -40.88 -61.31 0.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.89 -58.5 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.55 95.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.46 95.34 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -128.96 88.26 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.961 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -162.33 148.1 12.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . 163.75 117.79 0.42 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -177.68 158.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 10' ' ' SER . 0.2 OUTLIER 68.5 126.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 9' ' ' LEU . 38.4 m -68.84 135.2 50.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -124.8 108.85 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.3 ptm -122.58 157.48 32.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.45 140.29 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.19 143.91 27.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -136.16 92.29 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.51 -138.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t70 47.09 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.59 157.5 1.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.79 3.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.47 120.22 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.1 t -162.05 146.7 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -125.0 174.64 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.628 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.85 111.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -110.73 161.46 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.1 p -85.06 155.63 21.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -19.11 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.2 mt -61.43 105.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.74 129.52 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -52.82 -39.71 62.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -35.22 76.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.453 ' CB ' HD11 ' A' ' 50' ' ' LEU . 67.9 m -66.76 -53.91 28.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 89.3 t -48.12 -35.57 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 6.1 t0 -80.19 -30.87 38.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -60.99 -27.04 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD13 ' CB ' ' A' ' 60' ' ' ALA . 7.7 mt -96.06 -14.85 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 14.2 mt -65.95 -47.67 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -45.29 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.1 m-85 -42.79 -48.47 5.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.595 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.28 60.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.3 m-85 -149.45 152.91 36.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.22 57.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -26.66 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -54.1 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.36 -33.72 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.79 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 4.6 mtt85 -82.41 -34.17 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.549 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.5 mtmt -65.3 -43.98 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 60' ' ' ALA . . . -63.91 -42.04 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 32' ' ' SER . 15.4 mt -74.61 -12.46 60.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.69 -35.47 15.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -97.42 21.0 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.4 p -142.79 -51.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.26 96.7 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.62 52.79 1.88 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -140.59 91.89 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.75 -43.51 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -50.56 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -74.42 -43.3 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 49' ' ' ALA . . . -55.03 -41.23 71.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 82.4 m -60.67 -36.66 79.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.512 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.9 t0 -76.57 -48.07 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 88.3 t90 -44.11 -50.52 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -45.6 -48.83 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 -74.92 -55.7 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -40.41 -57.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -156.37 146.48 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -164.0 131.5 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.71 157.31 22.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.86 4.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.17 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -113.63 121.53 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -94.85 -58.51 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 0.723 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 -58.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.82 70.62 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -156.56 167.36 30.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m -39.44 151.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.0 -58.95 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.06 162.03 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.58 128.96 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.03 171.1 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.79 117.94 3.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -179.66 169.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -40.85 147.17 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.5 145.77 30.88 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.2 Cg_endo -75.02 55.83 4.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 160.08 91.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.88 -138.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -104.78 71.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.68 91.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.76 3.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 mm -117.31 -150.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -108.53 -52.31 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -59.9 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.546 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -89.38 79.95 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -132.86 164.25 27.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.4 p -101.36 169.89 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.54 23.02 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.4 mt -78.19 107.22 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.66 135.85 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.69 -39.98 82.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -35.28 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' THR . 53.3 m -65.12 -53.97 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 72.9 t -46.18 -35.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 34.3 t0 -79.05 -36.19 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.572 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -54.95 -25.62 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD11 ' CB ' ' A' ' 60' ' ' ALA . 12.7 mt -95.66 -20.91 18.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 18.8 mt -62.36 -42.21 99.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -44.94 63.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -45.2 -53.22 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.98 62.42 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 39.5 m-85 -149.21 156.01 41.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.35 137.98 51.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.69 -33.74 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.79 -54.09 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' CG1' HG22 ' A' ' 64' ' ' VAL . 3.2 t -59.47 -33.27 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.21 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 10.4 mtt180 -82.28 -33.0 29.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.0 mtmm -66.67 -43.6 84.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . . . -65.72 -42.14 91.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.434 ' CD2' HD11 ' A' ' 57' ' ' ILE . 17.1 mt -75.68 -12.03 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -42.4 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -83.08 -38.98 21.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -75.27 -51.08 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.79 69.49 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 80.41 -51.15 4.15 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 70.4 m-20 -40.34 109.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 HD11 ' CD2' ' A' ' 50' ' ' LEU . 47.9 mm -67.27 -55.72 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 -52.29 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.59 -41.24 94.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' CB ' HD11 ' A' ' 36' ' ' LEU . . . -64.66 -35.51 81.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 58.0 m -65.03 -24.13 67.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.32 -47.58 7.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 84.5 t90 -43.88 -50.58 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG22 ' CG1' ' A' ' 45' ' ' VAL . 80.1 t -41.02 -52.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.2 m-85 -78.75 -58.96 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.55 88.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.87 105.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 p -132.34 127.44 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.0 -149.55 25.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.4 4.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p 46.88 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.67 126.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 p -150.76 -58.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.029 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -163.77 155.99 17.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.14 -149.79 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.72 155.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.38 -166.45 20.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -158.9 -115.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 73.63 -172.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -69.33 138.32 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.22 107.83 19.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.54 165.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -141.71 148.99 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.51 158.14 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.59 124.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -123.02 -138.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 177.84 40.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.44 91.22 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 53.74 3.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt 62.46 134.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.47 87.42 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.37 69.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 42.99 72.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -134.2 153.52 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.39 99.22 6.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.98 21.42 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt -42.03 106.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.25 136.7 36.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.6 -46.47 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.464 ' CA ' HD12 ' A' ' 57' ' ' ILE . 67.4 m -65.81 -51.69 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -50.75 -35.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 22.9 t70 -78.94 -31.07 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 52.1 m -62.17 -25.41 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.17 -16.03 24.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 22.6 mt -67.38 -44.61 78.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -46.06 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.3 m-85 -44.16 -49.98 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.23 51.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.9 m-85 -141.01 150.81 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 149.64 50.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CA ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.53 -29.92 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.67 -54.1 15.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.73 -38.78 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -32.42 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -86.55 -23.22 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.6 mtmt -79.53 -40.33 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.31 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -83.9 6.18 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.44 -39.07 17.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -65.04 -61.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.32 61.39 0.45 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.59 44.25 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.65 100.93 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 HD12 ' CA ' ' A' ' 32' ' ' SER . 19.9 mm -60.0 -53.64 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -50.83 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -68.99 -43.8 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.47 39.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 74.4 m -66.14 -24.2 66.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.49 -44.35 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.9 t90 -51.51 -48.87 62.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.3 t -44.23 -43.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -83.62 -59.06 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.938 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -40.56 -46.09 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.78 100.19 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 m 58.98 110.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.52 -155.8 14.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.92 38.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.99 130.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 179.47 150.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.65 170.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.09 -178.49 19.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.2 154.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.58 161.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.81 130.76 2.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.04 134.72 7.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -128.81 150.22 50.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.75 121.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.7 155.83 0.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -165.89 111.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.19 137.96 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -145.32 132.67 10.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.52 21.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -173.4 41.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 41.5 mt 65.83 126.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 17' ' ' ILE . 1.2 m-20 -167.24 87.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.39 160.93 5.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 53.87 3.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.77 -150.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.5 t 60.32 95.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 75.41 -69.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.62 166.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -147.8 143.08 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.01 109.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -52.44 -21.69 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.439 HG22 ' CG2' ' A' ' 33' ' ' VAL . 7.3 mt -61.18 102.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -47.66 138.18 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -71.64 -38.76 70.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -35.3 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -67.44 -50.84 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 28' ' ' ILE . 59.1 t -50.29 -39.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 8.7 t70 -77.0 -34.45 57.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 40.5 m -57.4 -27.97 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.4 -23.34 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 36.2 mt -61.57 -48.35 81.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.62 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -39.32 -50.52 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.09 50.51 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -137.87 165.33 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 161.83 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -29.89 66.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -53.94 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.27 -38.99 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.39 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.02 -26.09 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.563 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 12.7 mtmt -75.76 -41.22 53.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -68.21 -41.75 80.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.3 2.98 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.04 -40.05 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.6 -39.06 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 p -66.36 -49.88 65.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.15 92.97 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.38 39.75 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -128.54 95.86 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.1 mm -60.37 -52.94 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.6 -43.37 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -81.18 -35.41 31.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.73 92.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 61.9 m -64.46 -31.27 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.48 -43.3 19.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 72.8 t90 -51.11 -45.98 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.1 t -48.84 -45.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-30 -78.34 -55.58 5.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 17.1 m-20 -40.36 -45.31 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -157.08 154.99 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m 52.86 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.29 24.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.17 5.94 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 m 62.92 135.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -58.98 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.077 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 122.25 24.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.25 152.0 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.73 178.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -57.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 110.041 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -100.64 -58.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.06 -118.3 4.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.42 116.57 31.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.69 162.27 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 169.76 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -74.25 168.84 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.663 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.3 ttt -178.6 136.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -121.51 -54.59 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . 2.0 p30 -58.82 131.87 86.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.12 21.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -168.76 45.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.3 mt 61.54 122.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' OD1' ' CB ' ' A' ' 14' ' ' ASP . 10.0 p-10 177.67 59.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . . . 55.03 177.89 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.01 -160.73 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.8 mt -141.46 116.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t 60.42 98.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 49.3 p-80 -140.8 100.87 3.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.68 147.09 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.5 m 59.55 151.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -81.32 99.08 8.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.48 -19.51 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 mt -63.54 97.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.47 130.49 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -60.66 -34.32 74.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' THR . 57.6 m -63.77 -53.62 48.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 73.6 t -46.8 -37.62 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.2 t0 -73.38 -36.8 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.7 m -58.07 -25.16 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -95.99 -19.41 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 19.9 mt -62.7 -39.49 94.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -46.2 34.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.7 m-85 -42.26 -51.16 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.68 59.37 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 33.3 m-85 -148.84 162.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.58 139.8 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CA ' HD23 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -49.66 -35.01 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -54.1 38.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HG21 ' A' ' 64' ' ' VAL . 3.4 t -63.07 -35.07 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 50' ' ' LEU . . . -58.2 -31.95 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -87.28 -30.78 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.8 mtmm -68.92 -43.29 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' A' ' 53' ' ' SER . . . -67.84 -42.1 81.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 15.4 mt -75.85 -4.7 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.03 -39.28 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -88.07 -39.05 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 49' ' ' ALA . 2.1 m -73.02 -56.91 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.18 69.37 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 79.5 -51.89 4.03 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' GLY . 69.6 m-20 -40.06 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.59 -55.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.38 -43.75 11.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -69.42 -46.77 66.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -41.47 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.1 m -59.1 -29.76 67.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' CG ' ' ND2' ' A' ' 66' ' ' ASN . 28.9 t0 -81.74 -50.43 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.0 t90 -44.39 -49.68 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.421 HG21 ' CG1' ' A' ' 45' ' ' VAL . 82.8 t -42.84 -50.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.6 m-85 -78.14 -56.27 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 1.3 m-80 -42.86 -51.67 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -128.42 99.62 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.13 17.78 20.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.91 158.01 30.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.06 32.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.38 160.17 26.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.0 p -121.67 94.03 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.37 156.17 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -168.14 170.35 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.0 178.56 34.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 p -153.55 166.22 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -151.46 142.93 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.16 103.45 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -89.27 -159.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER 57.97 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.1 p -154.96 139.07 16.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 69.29 167.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.23 131.85 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.9 p30 179.86 163.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' CB ' HG12 ' A' ' 17' ' ' ILE . 5.9 m-20 -96.5 132.62 26.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.79 109.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 17.4 mm -90.57 59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 177.5 94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.01 154.64 1.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.4 mt 62.49 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.23 157.0 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -87.22 68.31 9.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 172.15 73.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -156.49 149.27 23.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -102.07 173.88 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.57 -18.6 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.71 106.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.86 124.68 23.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.99 -38.28 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -35.29 76.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -64.89 -50.69 65.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.1 t -50.22 -36.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 29.2 t70 -75.86 -31.81 59.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.0 m -62.95 -25.56 68.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 mt -95.99 -15.09 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 ' CA ' ' A' ' 43' ' ' GLU . 17.3 mt -65.53 -40.29 92.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -45.04 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 4.1 m-85 -42.09 -48.54 4.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.46 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.3 m-85 -147.22 158.42 43.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.46 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' CA ' HD23 ' A' ' 37' ' ' LEU . 1.6 tt0 -48.02 -34.84 10.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.09 34.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' HG21 ' A' ' 64' ' ' VAL . 3.5 t -60.44 -36.99 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' LEU . . . -58.44 -33.27 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -27.65 25.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmm -72.11 -42.61 65.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.463 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.55 -42.17 83.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 10.8 mt -77.49 -6.94 55.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -88.82 -34.59 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.19 -37.03 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -82.57 -38.7 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 113.52 -96.98 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -126.85 -40.79 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.82 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' GLY . 30.8 mm -50.17 -50.52 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -39.14 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -73.59 -41.96 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -62.63 -41.52 99.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 87.7 m -58.81 -29.58 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.96 -51.4 9.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 86.6 t90 -45.58 -49.22 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.456 HG21 ' CG1' ' A' ' 45' ' ' VAL . 87.5 t -41.84 -49.42 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.3 m-85 -82.01 -58.62 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.87 93.31 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 68.28 121.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 t -118.87 159.84 23.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.65 162.99 19.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.53 42.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.71 95.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -177.86 121.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.62 169.76 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.59 -58.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.36 -164.27 12.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.63 102.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -166.21 157.54 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.38 -165.18 30.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.39 130.35 17.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.71 140.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.22 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -125.82 167.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.51 62.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 59.54 163.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.41 134.07 52.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.86 21.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ILE . 19.0 m-20 -174.11 68.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 HG23 ' CD ' ' A' ' 20' ' ' PRO . 81.0 mt 61.33 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.4 p30 -79.7 61.91 3.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' ASP . . . 82.04 92.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.465 ' CD ' HG23 ' A' ' 17' ' ' ILE . 18.4 Cg_endo -74.98 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 mm -129.79 -150.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.57 138.29 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.63 70.06 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -150.35 133.69 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.1 t -98.74 137.24 37.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t 63.54 144.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -19.13 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 mt -62.18 103.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.1 139.07 18.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -66.75 -47.75 71.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -35.35 48.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' THR . 41.3 m -65.96 -57.72 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.44 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 92.4 t -43.53 -38.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 1.7 t70 -76.19 -42.46 46.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 73.7 m -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.65 -25.9 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 30.4 mt -60.75 -40.45 92.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -69.57 -45.21 69.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -46.84 -49.68 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.96 58.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 35.7 m-85 -144.96 164.26 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.47 159.38 30.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -31.19 71.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.49 -54.08 9.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.22 -36.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.61 -36.29 73.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mtt180 -82.54 -33.14 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.7 mtmm -66.02 -43.85 86.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.64 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 57' ' ' ILE . 23.3 mt -76.13 -2.66 32.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.42 -39.4 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.13 -39.12 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 p -67.69 -60.54 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.8 62.48 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.8 -45.12 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.9 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 11.5 mm -71.4 -36.81 62.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -88.55 -28.47 20.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.15 65.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 94.6 m -66.85 -30.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 25.3 t0 -82.89 -44.63 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 83.9 t90 -49.34 -50.52 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.2 t -43.98 -41.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 -83.85 -57.92 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 62' ' ' ASP . 56.7 m-20 -42.45 -49.63 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.49 136.58 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -163.22 138.52 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.67 -145.42 3.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 79.03 2.77 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.47 147.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -161.28 152.87 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.96 141.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.8 p -166.51 83.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.43 -136.33 9.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.48 89.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.57 -142.48 40.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.04 150.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.15 111.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -126.24 148.02 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.051 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -147.88 81.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.51 147.54 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -146.88 153.51 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -161.32 140.05 7.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.09 19.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.12 101.27 3.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -100.47 -137.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -114.93 66.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . . . -170.3 177.88 0.96 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -74.97 -160.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -123.9 -150.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 36.0 t 66.1 -73.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.958 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' SER . 1.4 p-80 64.18 169.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -171.21 75.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -140.21 167.04 23.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m 60.29 156.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 22.01 13.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.9 mt -56.36 104.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.92 137.28 55.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -64.21 -35.47 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -35.23 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 60.5 m -64.07 -52.74 57.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG22 ' NH1' ' A' ' 47' ' ' ARG . 80.6 t -48.05 -36.64 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.1 t0 -77.79 -34.01 52.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 94.4 m -56.9 -23.99 48.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.62 -18.23 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 44.9 mt -68.5 -53.79 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.88 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -47.15 -47.21 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.79 55.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -138.22 156.44 47.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.57 144.92 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.66 -27.48 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -76.75 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.37 -36.42 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.07 72.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' HG22 ' A' ' 33' ' ' VAL . 8.7 mtt85 -84.3 -27.21 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmt -75.89 -40.61 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' A' ' 60' ' ' ALA . . . -68.89 -42.04 77.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 32' ' ' SER . 70.6 mt -78.08 -2.13 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -35.79 17.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.86 -34.48 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 59' ' ' LYS . 5.8 m -75.48 -55.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . . . 92.12 94.87 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.18 30.06 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 84.2 m-20 -118.48 76.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 35' ' ' THR . 20.6 mm -40.39 -54.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.1 -53.88 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 9.6 mttm -68.07 -37.41 81.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CA ' ' HB2' ' A' ' 49' ' ' ALA . . . -60.82 -33.68 73.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.2 m -71.59 -11.8 61.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.0 -34.48 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.445 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 59.3 t90 -62.3 -35.34 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.005 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 t -61.68 -58.36 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.7 m-30 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.49 -52.57 2.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 68' ' ' SER . 18.4 p30 -84.68 -36.84 21.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -87.26 98.6 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.64 157.63 24.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 132.17 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.6 p -89.91 113.99 25.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -113.36 -56.94 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.51 172.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 62.14 163.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.79 175.17 18.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.27 -59.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.07 164.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.46 118.89 3.36 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -93.24 -160.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt 61.04 61.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 t -177.37 118.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -154.04 -61.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.567 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 165.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.61 126.33 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.03 156.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.14 21.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -154.31 89.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.1 58.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 176.51 59.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -169.5 88.81 0.58 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 mm -126.83 -150.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.03 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 8.1 m-70 -92.11 -65.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER 78.9 141.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' CG2' ' A' ' 25' ' ' THR . 1.4 m -83.54 4.52 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m 39.53 80.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.84 15.15 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.37 99.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.72 125.82 27.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -50.42 -35.43 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' THR . 46.6 m -65.32 -53.81 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 69.6 t -48.79 -35.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 9.3 t0 -76.64 -31.52 57.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 98.8 m -63.22 -24.01 67.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.3 mt -96.09 -16.17 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 20.1 mt -64.93 -44.79 88.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -47.8 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.96 -48.57 2.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.3 55.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 23.6 m-85 -148.44 156.91 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.04 146.26 41.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' CA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -53.1 -33.38 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -66.43 -54.24 26.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.04 -34.87 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.27 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -84.5 -33.09 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 16.5 mtmt -65.34 -44.36 88.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -67.17 -42.19 84.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 60' ' ' ALA . 20.1 mt -77.48 -8.22 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -88.47 -37.81 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 63' ' ' TRP . . . -90.93 -36.32 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -85.88 -44.39 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 119.29 -94.66 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -127.15 -40.62 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.74 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' GLY . 3.4 mm -51.41 -49.73 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.83 -35.88 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.51 -45.88 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -62.77 -32.88 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 98.0 m -62.96 -33.27 75.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.2 t0 -79.64 -47.13 15.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 77.7 t90 -44.43 -51.07 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.8 -47.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 -75.87 -56.57 4.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' PHE . 30.1 m-20 -40.55 -52.57 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' OD1' ' CE2' ' A' ' 63' ' ' TRP . 18.3 p30 -155.34 144.74 21.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -167.69 148.22 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.23 -168.22 25.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 147.64 34.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -57.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.024 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.05 117.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -169.11 138.03 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.68 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.97 131.33 9.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.67 161.37 34.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.12 89.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.08 -169.43 1.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.78 134.08 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.24 62.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.96 145.91 45.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -72.75 95.44 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.2 OUTLIER 47.09 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.38 103.02 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -154.93 131.27 5.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.57 13.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 171.18 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.427 ' CG2' ' HD3' ' A' ' 20' ' ' PRO . 38.9 mt -148.11 107.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -97.31 68.69 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.24 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CG2' ' A' ' 17' ' ' ILE . 18.2 Cg_endo -75.05 53.8 3.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mm -135.47 113.76 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -77.41 99.45 5.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -99.07 171.78 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.76 169.75 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -43.49 156.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -66.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.72 22.84 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CG2' ' CG2' ' A' ' 33' ' ' VAL . 78.5 mt -48.7 105.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.26 130.26 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -52.4 -41.94 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -35.33 75.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 50' ' ' LEU . 58.3 m -66.97 -53.13 34.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 77.2 t -44.8 -38.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 10.2 t70 -78.29 -36.26 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.7 m -52.7 -26.48 14.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.49 -22.85 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 26.1 mt -62.48 -51.12 68.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 m -61.12 -47.76 84.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -44.33 -52.91 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.13 58.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.2 m-85 -147.45 155.65 42.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.36 49.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 -34.93 10.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -54.06 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 64' ' ' VAL . 41.2 t -60.23 -36.7 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.34 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 19.5 mtt180 -84.61 -42.64 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 18.5 mtpt -51.72 -49.76 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -63.07 -41.95 99.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 32' ' ' SER . 31.6 mt -72.36 -10.8 60.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -86.7 -45.49 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -81.74 -27.27 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 p -88.69 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.82 85.09 0.62 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.8 -57.65 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.22 120.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 mm -87.29 -48.56 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.51 -34.79 18.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -41.23 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.02 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.603 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 m -56.41 -37.27 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' PHE . 49.4 t0 -76.82 -49.17 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.539 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 61.1 t90 -42.79 -54.69 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.466 HG22 ' CG1' ' A' ' 45' ' ' VAL . 66.4 t -40.85 -42.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 0.7 OUTLIER -85.18 -59.04 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' ND2' ' OD2' ' A' ' 62' ' ' ASP . 12.2 m-20 -40.66 -46.14 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.19 133.85 36.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 p -121.48 113.46 19.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.51 161.43 10.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' GLY . 8.8 t 63.14 123.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m 65.84 -75.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.955 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.61 166.69 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 p -136.26 -58.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 -63.97 3.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p 58.02 163.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.01 158.42 34.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.93 -152.08 6.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.08 137.27 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.48 172.16 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.5 m 61.11 154.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.77 104.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.606 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtp -177.67 148.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.51 169.83 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 150.84 64.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.38 21.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 175.97 122.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.35 -138.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -102.17 67.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 52.22 91.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 53.77 3.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mm -129.79 109.87 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -90.51 138.02 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.68 159.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -134.42 127.73 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -64.87 151.79 44.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -65.61 109.1 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.81 19.84 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 33' ' ' VAL . 5.2 mt -41.29 103.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -42.22 149.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -81.87 -35.71 29.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 35' ' ' THR . 0.1 OUTLIER -67.39 -35.34 79.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.465 ' CB ' HD11 ' A' ' 50' ' ' LEU . 51.4 p -64.85 -50.64 65.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 28' ' ' ILE . 68.0 t -51.58 -35.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 23.6 t0 -80.38 -34.07 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 75.4 m -58.23 -26.36 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 57' ' ' ILE . 1.8 mt -96.07 -16.01 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 15.5 mt -66.83 -43.12 84.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -48.84 39.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.24 -54.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.2 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 40.2 m-85 -144.9 157.4 44.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.29 148.87 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -25.04 59.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -76.25 -54.15 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.78 -38.01 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.47 -35.47 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.39 -25.02 31.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.2 mtmm -77.22 -41.05 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -70.14 -40.29 74.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 32' ' ' SER . 19.8 mt -80.9 0.56 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -41.11 10.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -90.23 -39.11 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.7 p -67.59 -46.38 72.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.48 91.43 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.64 42.6 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ALA . 71.3 m-20 -133.1 93.95 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 36' ' ' LEU . 9.5 mm -59.74 -51.41 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.87 -39.89 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -86.81 -31.65 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -64.6 -34.13 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 96.7 m -70.21 -25.01 63.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' PHE . 18.9 t70 -89.61 -41.99 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 57.5 t90 -51.8 -35.46 44.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.09 -28.64 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.9 m-30 -96.18 -12.26 24.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' TRP . 5.9 m-80 -117.25 -172.42 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 63' ' ' TRP . 5.3 m-80 57.58 94.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.64 112.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.94 157.65 50.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 p -149.57 157.01 42.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.5 p -142.12 -57.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.93 168.8 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.65 155.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.41 -67.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 63.37 156.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -147.64 166.67 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.939 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.48 -159.2 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.32 153.09 19.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -171.69 143.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -139.1 -57.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.7 -62.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 mtt 60.68 80.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.05 164.86 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.9 131.23 91.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.2 Cg_endo -75.02 -16.74 19.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 1.7 m-20 156.43 74.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.91 61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t70 176.36 94.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 178.55 157.04 0.6 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 53.72 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.463 1.77 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -139.92 114.25 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t 58.81 113.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -137.62 -64.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.74 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' HIS . 1.1 t -128.83 4.1 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 27' ' ' ASP . 7.6 p 63.31 -165.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG ' ' A' ' 26' ' ' SER . 4.9 m-20 164.71 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.1 mt -50.27 103.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.59 135.56 8.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -72.73 -36.88 67.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -35.1 76.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -68.46 -49.0 63.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' CG1' ' HG3' ' A' ' 47' ' ' ARG . 21.5 t -51.82 -38.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 15.3 t0 -74.5 -34.94 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.6 m -58.46 -25.16 61.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' A' ' 41' ' ' PHE . 9.9 mt -95.79 -16.7 21.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 26.4 mt -67.54 -50.56 58.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -62.33 -48.62 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -42.23 -50.46 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 55.55 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CD2' HD21 ' A' ' 36' ' ' LEU . 28.5 m-85 -141.85 152.15 43.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 150.72 45.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -28.17 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.71 -54.02 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.5 -37.54 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.94 72.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 7.0 mtt-85 -84.69 -23.68 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.5 mtmm -79.17 -40.34 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 63' ' ' TRP . . . -68.8 -37.44 79.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -84.77 3.4 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.68 -42.86 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.95 -38.96 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.3 p -66.21 -48.77 69.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.12 89.4 0.79 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 40.07 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ALA . 77.1 m-20 -130.49 94.15 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 7.3 mm -59.58 -50.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -37.7 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -31.11 21.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -65.58 -42.18 92.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.567 HG22 ' CE2' ' A' ' 65' ' ' PHE . 94.0 m -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' ASN . 24.5 t70 -79.83 -42.48 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 78.4 t90 -51.09 -40.98 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.53 -31.78 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 61' ' ' THR . 1.9 m-30 -93.11 -10.35 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.6 m-80 -118.43 -173.45 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.18 92.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.62 92.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.8 -168.79 15.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 58.99 5.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -167.2 74.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 t -144.21 149.15 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -152.19 -58.26 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.753 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 50.07 83.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.74 136.57 9.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -154.89 105.14 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.95 159.32 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.91 -169.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.38 160.46 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.6 150.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.27 136.28 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 147.57 50.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -56.07 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 t0 55.62 168.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.87 133.5 25.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.73 20.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER 166.94 125.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 16' ' ' ASP . 22.8 mt -153.46 108.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 173.94 57.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . . . 73.74 177.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.99 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mt -142.89 116.85 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -176.13 95.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.054 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -133.17 -61.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.64 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -154.4 175.61 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.8 m 65.55 131.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.87 162.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.61 -29.78 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -45.09 104.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.01 143.49 51.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -71.77 -47.16 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -35.33 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -68.1 -52.05 39.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.08 -38.4 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.4 t70 -74.83 -37.42 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.525 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 78.5 m -55.36 -24.56 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -94.88 -20.93 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 30.3 mt -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -49.42 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -38.83 -55.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.76 54.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -143.96 167.42 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.36 164.04 22.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -30.24 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.04 -53.94 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.12 -37.68 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.36 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -88.28 -24.68 23.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.7 mtmt -77.2 -41.06 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.5 mt -83.23 5.43 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -36.79 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.43 -38.99 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 p -67.5 -57.57 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.82 80.17 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.85 -57.09 1.76 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.46 125.37 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.6 mm -84.02 -55.53 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.33 -38.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -75.7 -40.83 55.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' ILE . . . -61.85 -40.85 96.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.8 m -61.6 -35.06 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.9 -42.6 48.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CZ2' ' OD1' ' A' ' 67' ' ' ASN . 69.1 t90 -53.38 -51.02 63.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 108.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.5 t -41.0 -47.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.5 m-85 -79.07 -52.25 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -79.95 94.69 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.569 ' OD1' ' CZ2' ' A' ' 63' ' ' TRP . 0.3 OUTLIER 177.61 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 p 63.23 116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.17 116.55 4.42 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -45.79 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 t -114.2 127.37 55.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t 48.22 88.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.5 108.75 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m 63.39 135.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.8 -148.31 6.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.61 93.66 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -151.32 139.95 20.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 -142.48 13.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.38 161.77 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.43 143.48 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 p -174.51 165.18 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -124.07 133.49 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.34 125.48 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.89 168.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -45.61 131.53 6.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -74.92 -14.05 21.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 162.81 126.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.18 -138.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -101.68 69.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 43.55 90.14 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -139.28 -150.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 3.3 t 84.73 -64.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 168.95 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.572 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.7 73.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -63.9 144.57 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.7 p -135.01 96.23 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 23.82 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -57.04 104.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.8 127.9 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -50.31 -41.89 51.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -35.34 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 70.0 m -65.87 -55.37 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.6 t -45.79 -33.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 43.8 t0 -76.52 -39.96 51.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.551 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 23.6 m -52.89 -28.69 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 57' ' ' ILE . 7.1 mt -90.79 -26.5 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 22.3 mt -57.88 -49.47 76.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -64.51 -49.98 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -38.99 -51.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.83 57.19 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 26.1 m-85 -148.54 163.6 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.95 154.98 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CA ' HD21 ' A' ' 37' ' ' LEU . 1.9 tt0 -62.06 -32.07 72.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.47 -54.15 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.7 -36.63 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.54 76.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -80.37 -25.9 38.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.8 mtmt -76.72 -40.92 47.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.461 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -66.49 -41.99 88.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.5 mt -75.25 -18.52 60.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -50.18 54.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 63' ' ' TRP . . . -79.14 -37.02 39.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.5 m -94.12 93.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.0 94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.73 52.95 1.94 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -130.36 98.86 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.412 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 11.7 mm -61.0 -46.95 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -40.52 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -82.64 -36.52 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.461 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -61.72 -42.73 99.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 55.5 m -57.92 -30.97 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 33.6 t70 -83.27 -46.28 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 53.2 t90 -46.09 -32.3 2.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.8 t -67.69 -45.67 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 -77.14 -14.48 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 2.5 m-80 -118.04 -171.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.4 88.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.54 96.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.5 -168.39 22.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.44 159.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 95.13 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.1 169.45 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -107.41 -58.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.67 -161.53 32.29 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p -51.17 163.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -174.48 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.88 111.47 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.55 115.79 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.45 148.5 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.54 158.95 17.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -83.5 -61.68 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.622 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -172.88 83.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 57.11 167.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.29 132.61 31.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -75.01 -13.55 21.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 2.2 m-20 156.93 128.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.22 -138.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -103.53 59.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -168.49 91.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 53.77 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.4 mt 62.57 134.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.54 149.13 24.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -171.7 124.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.02 175.36 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -114.18 158.63 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.85 -169.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.26 18.25 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 33' ' ' VAL . 5.6 mt -44.19 106.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.82 145.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -83.24 -22.59 33.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.59 60.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' CA ' HD13 ' A' ' 57' ' ' ILE . 72.3 m -69.01 -54.24 16.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 70.9 t -47.26 -37.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 26.3 t70 -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.9 m -59.56 -24.22 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.77 -16.69 21.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 26.9 mt -67.19 -43.67 81.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -48.09 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -41.46 -54.92 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.84 51.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 36.9 m-85 -140.66 155.15 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.76 150.6 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.53 -33.4 68.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -66.0 -53.06 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' HG23 ' A' ' 64' ' ' VAL . 20.5 t -67.17 -34.99 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.76 58.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 3.1 mtt180 -87.77 -43.29 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CH2' ' A' ' 63' ' ' TRP . 17.2 mtpt -52.62 -49.32 65.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -64.18 -32.81 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.76 3.07 46.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -96.89 -43.05 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.9 -39.08 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -69.8 -42.98 73.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 91.23 0.8 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.86 50.85 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 80.1 m-20 -139.02 108.29 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 HD13 ' CA ' ' A' ' 32' ' ' SER . 20.5 mm -68.12 -51.97 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.79 -43.83 58.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 2.7 mttt -74.47 -48.99 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -53.17 -45.55 68.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.601 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.9 m -55.14 -22.3 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.454 ' CG ' ' ND2' ' A' ' 66' ' ' ASN . 56.8 t0 -88.28 -49.74 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.416 ' CH2' ' HE2' ' A' ' 48' ' ' LYS . 45.0 t90 -45.01 -49.55 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' A' ' 45' ' ' VAL . 73.9 t -44.13 -39.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -89.28 -56.89 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.454 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 4.6 m-20 -40.42 -51.42 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -109.45 106.5 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.07 142.05 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.73 -176.24 35.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.83 30.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.13 100.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -163.08 143.01 8.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 159.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.32 -156.01 23.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.67 169.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 0.761 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -148.93 122.08 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.13 -98.89 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.08 143.0 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.66 132.65 53.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -169.59 141.1 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -139.09 164.24 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.54 -59.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t0 63.0 103.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -126.17 131.65 24.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.26 12.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 t0 174.52 51.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 79.9 mt -86.69 60.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 176.81 94.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . . . -176.78 178.74 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.08 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.1 mt -109.87 41.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 174.36 140.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.007 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -155.65 -61.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 124.89 28.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -60.02 150.44 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -45.19 127.97 7.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 23.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.537 ' CG2' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mt -53.12 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.11 130.95 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -53.14 -47.0 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -35.36 67.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 m -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 87.2 t -45.16 -38.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 15.0 t0 -77.37 -41.16 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 55.4 m -48.75 -29.37 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 60' ' ' ALA . 8.0 mt -91.09 -25.84 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 29.2 mt -60.32 -44.71 95.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.5 m-85 -44.21 -50.02 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.52 59.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 29.7 m-85 -146.96 167.79 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.92 161.08 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.93 -31.45 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.6 -54.04 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 64' ' ' VAL . 3.9 t -58.41 -35.66 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 50' ' ' LEU . . . -59.03 -34.04 71.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 3.8 mtt-85 -85.8 -35.85 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.4 mtmm -61.77 -45.35 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 16.0 mt -75.54 -8.13 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -85.08 -41.16 16.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB2' ' CD1' ' A' ' 63' ' ' TRP . . . -85.84 -39.0 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.8 p -77.57 -53.79 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 90.34 1.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 68.96 -59.12 0.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' GLY . 66.0 m-20 -40.26 116.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.2 mm -79.88 -51.29 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.73 -36.65 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -78.37 -34.03 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 36' ' ' LEU . . . -68.31 -42.15 79.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 86.0 m -59.77 -24.72 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.6 t70 -85.35 -50.35 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 75.0 t90 -46.34 -41.98 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG22 ' CG1' ' A' ' 45' ' ' VAL . 87.4 t -51.53 -53.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.7 m-85 -79.66 -11.93 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 m-80 -106.8 -171.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 53.84 90.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -155.73 133.34 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.8 -157.51 30.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t 68.73 149.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.3 113.54 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -47.69 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m 56.52 -91.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.0 -168.77 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.4 -57.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.18 166.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 -103.8 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.65 144.55 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.89 155.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.418 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.51 104.49 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.59 73.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.612 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 162.04 20.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.05 93.39 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.13 146.57 99.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -90.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -124.19 77.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -115.11 -138.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -94.53 67.84 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.32 109.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.87 3.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.7 mt 62.57 134.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -176.83 -69.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -168.65 152.23 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.589 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -106.49 140.46 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -139.1 152.22 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.38 -67.55 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 64.62 21.68 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.449 HG21 ' CB ' ' A' ' 50' ' ' LEU . 8.6 mt -40.39 101.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.44 132.85 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -64.08 -38.37 90.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -35.24 77.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.46 -53.74 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -46.5 -38.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 21.7 t0 -78.64 -38.48 39.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 m -50.92 -29.73 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD23 ' CD2' ' A' ' 41' ' ' PHE . 5.6 mt -90.57 -24.04 20.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 31.0 mt -62.6 -39.62 94.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -41.39 74.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -51.92 -48.12 64.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.07 57.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 34.4 m-85 -144.27 157.99 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -31.58 70.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -70.51 -53.62 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 64' ' ' VAL . 3.1 t -59.58 -37.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -88.41 -25.76 22.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 20.1 mtmt -75.13 -41.69 57.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.94 84.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' CB ' HG21 ' A' ' 28' ' ' ILE . 22.3 mt -74.6 -25.67 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -49.79 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.81 -33.07 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 m -97.33 95.63 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.63 94.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.69 35.76 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -110.15 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.46 -48.81 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -37.31 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -86.2 -29.95 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.02 84.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 23.8 m -68.01 -21.47 65.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.92 -49.28 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 73.4 t90 -43.83 -51.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.416 HG21 ' CG1' ' A' ' 45' ' ' VAL . 90.7 t -41.79 -46.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 0.9 OUTLIER -82.06 -46.89 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.1 80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . 31.1 m120 -156.72 150.76 24.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -142.07 116.03 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.82 157.53 8.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 91.0 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.33 119.74 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 t 53.21 85.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.38 120.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.82 135.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 108.07 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -73.27 164.15 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 0.724 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.17 -58.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 -121.87 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.09 149.07 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -113.49 111.57 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -157.61 98.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -138.75 131.26 28.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.35 -53.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.13 112.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.11 163.12 8.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.27 9.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -175.95 116.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mt -115.3 -138.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.86 89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.74 104.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.01 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' PRO . 2.0 mm 61.84 130.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -148.37 -64.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 57.81 81.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -143.52 144.75 32.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -41.02 136.72 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.0 p -118.17 115.03 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.41 19.4 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.5 mt -41.86 103.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 148.9 27.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -74.56 -45.73 43.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.3 71.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.0 m -65.34 -53.41 44.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 HG22 ' NH1' ' A' ' 47' ' ' ARG . 87.5 t -49.63 -34.91 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 12.1 t70 -78.1 -32.59 50.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.2 m -59.64 -24.97 64.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 41' ' ' PHE . 4.1 mt -95.96 -15.38 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 34' ' ' ASP . 25.8 mt -68.48 -41.19 80.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -50.51 16.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -39.69 -55.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 143.58 54.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CD2' HD21 ' A' ' 36' ' ' LEU . 29.8 m-85 -146.9 148.96 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.77 151.75 46.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -53.98 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' CG1' HG22 ' A' ' 64' ' ' VAL . 3.3 t -60.16 -34.56 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' NH1' HG22 ' A' ' 33' ' ' VAL . 9.5 mtt85 -79.51 -20.76 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.5 mtmm -81.4 -40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HB3' ' CA ' ' A' ' 60' ' ' ALA . . . -70.26 -39.14 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.84 1.76 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.88 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.94 -38.92 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.1 p -69.5 -47.5 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.943 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 85.35 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.9 -58.89 0.76 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.1 m-20 -40.62 123.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ALA . 4.8 mm -86.4 -51.96 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.11 -35.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -42.17 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' CA ' ' HB3' ' A' ' 49' ' ' ALA . . . -58.18 -39.76 79.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.2 m -61.95 -31.67 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.14 -42.74 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 62.6 t90 -50.6 -49.66 55.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.434 HG22 ' CG1' ' A' ' 45' ' ' VAL . 91.9 t -44.74 -32.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 -93.34 -58.58 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -42.6 -54.07 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.083 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.81 107.17 6.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -132.6 125.56 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.15 163.82 3.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.45 16.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 m -66.3 141.71 57.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.56 168.34 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 51' ' ' LYS . 11.4 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.26 137.5 58.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -64.66 -39.74 94.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -35.19 74.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' THR . 49.4 m -63.31 -55.19 26.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -45.86 -33.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.3 t0 -76.06 -39.92 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 57.1 m -51.48 -27.3 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 50' ' ' LEU . 6.0 mt -93.81 -23.59 18.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.0 mt -60.93 -40.2 92.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.7 m -72.2 -45.83 58.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -45.44 -52.92 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 137.81 61.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 32.3 m-85 -150.2 157.91 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 133.88 40.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.4 tt0 -45.08 -34.63 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.65 -54.15 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.53 -33.45 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.84 -34.42 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -84.41 -32.97 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.8 mtmt -66.4 -43.83 84.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.78 -41.85 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 HD13 ' A' ' 57' ' ' ILE . 22.7 mt -76.08 -10.67 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -81.71 -42.87 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -84.36 -38.87 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -73.68 -54.46 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.54 73.35 1.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 77.02 -54.43 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.5 m-20 -40.42 111.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.877 HD13 HD21 ' A' ' 50' ' ' LEU . 42.5 mm -71.18 -54.99 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.51 -35.94 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -79.54 -39.22 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.53 -46.02 84.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 85.1 m -56.94 -31.11 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.44 -47.7 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.4 t90 -43.79 -47.67 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 60' ' ' ALA . 99.3 t -48.43 -49.67 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.89 136.57 57.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.15 -34.04 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.33 80.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 50' ' ' LEU . 13.5 m -67.45 -54.72 17.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 78.7 t -45.44 -36.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.85 ' HA ' HD12 ' A' ' 37' ' ' LEU . 13.1 t70 -77.79 -41.67 36.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 67.7 m -48.93 -26.77 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 50' ' ' LEU . 4.5 mt -93.77 -25.93 17.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.6 mt -58.3 -46.8 85.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -66.13 -48.03 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -43.67 -55.05 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 140.11 61.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 35.5 m-85 -149.92 154.09 37.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.46 149.25 49.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -58.38 -30.9 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.22 -54.01 14.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.4 -35.35 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.19 -36.27 75.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 2.3 mtt180 -82.59 -25.51 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.7 mtmt -76.43 -41.04 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -68.2 -37.81 81.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.845 HD21 HD13 ' A' ' 57' ' ' ILE . 29.9 mt -83.94 -1.19 54.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -86.88 -35.23 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 -38.97 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.7 p -70.0 -48.96 56.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.21 86.08 0.82 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.95 -59.86 0.76 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 79.0 m-20 -40.5 122.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.845 HD13 HD21 ' A' ' 50' ' ' LEU . 19.3 mm -84.59 -52.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.0 -40.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -76.75 -42.34 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -57.37 -43.13 83.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 55.3 m -60.8 -33.3 72.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t0 -78.17 -45.34 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.5 t90 -48.31 -48.47 35.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.0 t -46.44 -43.8 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.767 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.2 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.74 129.52 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -52.82 -39.71 62.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -35.22 76.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 67.9 m -66.76 -53.91 28.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 89.3 t -48.12 -35.57 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.867 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.1 t0 -80.19 -30.87 38.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -60.99 -27.04 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.06 -14.85 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 34' ' ' ASP . 14.2 mt -65.95 -47.67 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -45.29 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.1 m-85 -42.79 -48.47 5.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.595 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.28 60.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.3 m-85 -149.45 152.91 36.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.22 57.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.1 tt0 -50.43 -26.66 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -54.1 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.36 -33.72 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.4 -36.79 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HG2' HG21 ' A' ' 28' ' ' ILE . 4.6 mtt85 -82.41 -34.17 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.5 mtmt -65.3 -43.98 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -63.91 -42.04 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -74.61 -12.46 60.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.69 -35.47 15.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -97.42 21.0 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.4 p -142.79 -51.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.26 96.7 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.62 52.79 1.88 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -140.59 91.89 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.435 HD13 HD21 ' A' ' 50' ' ' LEU . 6.1 mm -61.75 -43.51 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -50.56 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -74.42 -43.3 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.702 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.03 -41.23 71.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 82.4 m -60.67 -36.66 79.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.9 t0 -76.57 -48.07 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 88.3 t90 -44.11 -50.52 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 60' ' ' ALA . 89.7 t -45.6 -48.83 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' A' ' 47' ' ' ARG . 95.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.66 135.85 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.69 -39.98 82.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -35.28 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 53.3 m -65.12 -53.97 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 72.9 t -46.18 -35.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.855 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.3 t0 -79.05 -36.19 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.572 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -54.95 -25.62 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 HD11 ' A' ' 50' ' ' LEU . 12.7 mt -95.66 -20.91 18.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 34' ' ' ASP . 18.8 mt -62.36 -42.21 99.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -44.94 63.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -45.2 -53.22 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.98 62.42 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 39.5 m-85 -149.21 156.01 41.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.35 137.98 51.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -47.69 -33.74 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.79 -54.09 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.47 -33.27 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.28 -37.21 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.561 ' HG2' HG21 ' A' ' 28' ' ' ILE . 10.4 mtt180 -82.28 -33.0 29.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.0 mtmm -66.67 -43.6 84.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.478 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . . . -65.72 -42.14 91.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 57' ' ' ILE . 17.1 mt -75.68 -12.03 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -80.95 -42.4 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -83.08 -38.98 21.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -75.27 -51.08 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.79 69.49 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 80.41 -51.15 4.15 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 70.4 m-20 -40.34 109.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.921 HD13 HD21 ' A' ' 50' ' ' LEU . 47.9 mm -67.27 -55.72 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 -52.29 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.59 -41.24 94.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.66 -35.51 81.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 58.0 m -65.03 -24.13 67.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.32 -47.58 7.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 84.5 t90 -43.88 -50.58 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 80.1 t -41.02 -52.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.2 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.1 m-20 -53.25 136.7 36.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.6 -46.47 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 57' ' ' ILE . 67.4 m -65.81 -51.69 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' ASP . 92.4 t -50.75 -35.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 37' ' ' LEU . 22.9 t70 -78.94 -31.07 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 52.1 m -62.17 -25.41 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.17 -16.03 24.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.903 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.6 mt -67.38 -44.61 78.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -46.06 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.3 m-85 -44.16 -49.98 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.23 51.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.9 m-85 -141.01 150.81 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 149.64 50.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.53 -29.92 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.67 -54.1 15.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.73 -38.78 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -32.42 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -86.55 -23.22 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.6 mtmt -79.53 -40.33 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -71.22 -35.31 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.613 HD22 ' HA2' ' A' ' 55' ' ' GLY . 70.9 mt -83.9 6.18 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.44 -39.07 17.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.464 ' HG ' ' HA ' ' A' ' 50' ' ' LEU . 52.1 p -65.04 -61.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.32 61.39 0.45 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.613 ' HA2' HD22 ' A' ' 50' ' ' LEU . . . 65.43 9.59 44.25 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.65 100.93 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' SER . 19.9 mm -60.0 -53.64 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -50.83 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -68.99 -43.8 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -51.44 -35.47 39.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 74.4 m -66.14 -24.2 66.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.49 -44.35 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.9 t90 -51.51 -48.87 62.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 60' ' ' ALA . 96.3 t -44.23 -43.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.558 HG22 ' CG2' ' A' ' 33' ' ' VAL . 7.3 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m-20 -47.66 138.18 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -71.64 -38.76 70.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -35.3 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -67.44 -50.84 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ASP . 59.1 t -50.29 -39.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 37' ' ' LEU . 8.7 t70 -77.0 -34.45 57.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 40.5 m -57.4 -27.97 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 60' ' ' ALA . 12.8 mt -90.4 -23.34 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 34' ' ' ASP . 36.2 mt -61.57 -48.35 81.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.62 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -39.32 -50.52 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.09 50.51 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -137.87 165.33 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 161.83 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' HA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -70.52 -29.89 66.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -53.94 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.27 -38.99 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.39 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.02 -26.09 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 12.7 mtmt -75.76 -41.22 53.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.21 -41.75 80.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD21 HD13 ' A' ' 57' ' ' ILE . 62.1 mt -81.3 2.98 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.04 -40.05 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.6 -39.06 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 p -66.36 -49.88 65.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.15 92.97 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.38 39.75 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -128.54 95.86 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 23.1 mm -60.37 -52.94 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.6 -43.37 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -81.18 -35.41 31.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.47 -40.73 92.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 61.9 m -64.46 -31.27 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.48 -43.3 19.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 72.8 t90 -51.11 -45.98 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 60' ' ' ALA . 92.1 t -48.84 -45.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-30 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' ' 47' ' ' ARG . 6.6 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.47 130.49 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -60.66 -34.32 74.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.5 ' HB3' HD11 ' A' ' 57' ' ' ILE . 57.6 m -63.77 -53.62 48.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 46' ' ' ALA . 73.6 t -46.8 -37.62 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.864 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.2 t0 -73.38 -36.8 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.7 m -58.07 -25.16 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 50' ' ' LEU . 12.5 mt -95.99 -19.41 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.864 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.9 mt -62.7 -39.49 94.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -46.2 34.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.7 m-85 -42.26 -51.16 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.68 59.37 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 33.3 m-85 -148.84 162.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.58 139.8 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.746 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -49.66 -35.01 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -54.1 38.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.07 -35.07 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.687 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.2 -31.95 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -87.28 -30.78 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.8 mtmm -68.92 -43.29 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.84 -42.1 81.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.873 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -75.85 -4.7 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.03 -39.28 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -88.07 -39.05 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -73.02 -56.91 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.18 69.37 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 79.5 -51.89 4.03 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' GLY . 69.6 m-20 -40.06 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.873 HD13 HD21 ' A' ' 50' ' ' LEU . 43.5 mm -69.59 -55.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.38 -43.75 11.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -69.42 -46.77 66.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.93 -41.47 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.1 m -59.1 -29.76 67.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -81.74 -50.43 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.0 t90 -44.39 -49.68 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 82.8 t -42.84 -50.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.86 124.68 23.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.99 -38.28 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -35.29 76.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 71.1 m -64.89 -50.69 65.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -50.22 -36.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.2 t70 -75.86 -31.81 59.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.0 m -62.95 -25.56 68.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -95.99 -15.09 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 34' ' ' ASP . 17.3 mt -65.53 -40.29 92.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -45.04 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 4.1 m-85 -42.09 -48.54 4.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.46 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.3 m-85 -147.22 158.42 43.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.46 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -48.02 -34.84 10.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.09 34.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -36.99 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.44 -33.27 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -85.37 -27.65 25.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmm -72.11 -42.61 65.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.55 -42.17 83.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 57' ' ' ILE . 10.8 mt -77.49 -6.94 55.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -88.82 -34.59 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.19 -37.03 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -82.57 -38.7 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 113.52 -96.98 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -126.85 -40.79 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.82 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.856 HD13 HD21 ' A' ' 50' ' ' LEU . 30.8 mm -50.17 -50.52 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -39.14 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -73.59 -41.96 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.63 -41.52 99.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 87.7 m -58.81 -29.58 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.96 -51.4 9.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 86.6 t90 -45.58 -49.22 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.5 t -41.84 -49.42 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.1 139.07 18.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -66.75 -47.75 71.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -35.35 48.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' THR . 41.3 m -65.96 -57.72 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 92.4 t -43.53 -38.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.839 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.7 t70 -76.19 -42.46 46.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 73.7 m -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD12 HD11 ' A' ' 50' ' ' LEU . 12.8 mt -90.65 -25.9 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.4 mt -60.75 -40.45 92.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -69.57 -45.21 69.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -46.84 -49.68 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.96 58.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 35.7 m-85 -144.96 164.26 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.47 159.38 30.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -31.19 71.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.49 -54.08 9.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.22 -36.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.61 -36.29 73.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mtt180 -82.54 -33.14 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.7 mtmm -66.02 -43.85 86.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.63 -41.64 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 57' ' ' ILE . 23.3 mt -76.13 -2.66 32.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.42 -39.4 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.13 -39.12 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 p -67.69 -60.54 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.8 62.48 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.8 -45.12 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.9 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.878 ' CD1' HD21 ' A' ' 50' ' ' LEU . 11.5 mm -71.4 -36.81 62.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -88.55 -28.47 20.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -73.33 -39.15 65.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 94.6 m -66.85 -30.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -82.89 -44.63 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 83.9 t90 -49.34 -50.52 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.2 t -43.98 -41.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.92 137.28 55.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -64.21 -35.47 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -35.23 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 60.5 m -64.07 -52.74 57.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG11 HH11 ' A' ' 47' ' ' ARG . 80.6 t -48.05 -36.64 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t0 -77.79 -34.01 52.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 94.4 m -56.9 -23.99 48.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.62 -18.23 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 34' ' ' ASP . 44.9 mt -68.5 -53.79 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.88 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -47.15 -47.21 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.79 55.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -138.22 156.44 47.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.57 144.92 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -59.66 -27.48 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -76.75 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 64' ' ' VAL . 2.8 t -54.37 -36.42 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.07 72.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HG11 ' A' ' 33' ' ' VAL . 8.7 mtt85 -84.3 -27.21 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmt -75.89 -40.61 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 60' ' ' ALA . . . -68.89 -42.04 77.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 60' ' ' ALA . 70.6 mt -78.08 -2.13 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -35.79 17.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -94.86 -34.48 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 59' ' ' LYS . 5.8 m -75.48 -55.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . . . 92.12 94.87 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.18 30.06 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 84.2 m-20 -118.48 76.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.6 mm -40.39 -54.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.1 -53.88 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 9.6 mttm -68.07 -37.41 81.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.82 -33.68 73.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.2 m -71.59 -11.8 61.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.0 -34.48 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.482 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 59.3 t90 -62.3 -35.34 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.005 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 60' ' ' ALA . 27.7 t -61.68 -58.36 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.7 m-30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 51' ' ' LYS . 88.3 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.72 125.82 27.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -50.42 -35.43 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' THR . 46.6 m -65.32 -53.81 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 46' ' ' ALA . 69.6 t -48.79 -35.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 9.3 t0 -76.64 -31.52 57.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 98.8 m -63.22 -24.01 67.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 50' ' ' LEU . 11.3 mt -96.09 -16.17 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 20.1 mt -64.93 -44.79 88.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -47.8 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.96 -48.57 2.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.3 55.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 23.6 m-85 -148.44 156.91 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.04 146.26 41.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.626 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -53.1 -33.38 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -66.43 -54.24 26.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.04 -34.87 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.34 -34.27 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -84.5 -33.09 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 16.5 mtmt -65.34 -44.36 88.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.17 -42.19 84.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 36' ' ' LEU . 20.1 mt -77.48 -8.22 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -88.47 -37.81 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.93 -36.32 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -85.88 -44.39 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 119.29 -94.66 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -127.15 -40.62 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.74 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 35' ' ' THR . 3.4 mm -51.41 -49.73 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.83 -35.88 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.51 -45.88 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.77 -32.88 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 98.0 m -62.96 -33.27 75.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.2 t0 -79.64 -47.13 15.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 77.7 t90 -44.43 -51.07 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.4 t -44.8 -47.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.662 HG21 ' HG2' ' A' ' 47' ' ' ARG . 78.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.26 130.26 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -52.4 -41.94 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -35.33 75.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' THR . 58.3 m -66.97 -53.13 34.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 47' ' ' ARG . 77.2 t -44.8 -38.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.2 t70 -78.29 -36.26 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.7 m -52.7 -26.48 14.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 HD11 ' A' ' 50' ' ' LEU . 5.2 mt -93.49 -22.85 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.1 mt -62.48 -51.12 68.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 m -61.12 -47.76 84.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -44.33 -52.91 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.13 58.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.2 m-85 -147.45 155.65 42.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.36 49.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 -34.93 10.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -54.06 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.23 -36.7 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -56.97 -34.34 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HG2' HG21 ' A' ' 28' ' ' ILE . 19.5 mtt180 -84.61 -42.64 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 18.5 mtpt -51.72 -49.76 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -63.07 -41.95 99.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 46' ' ' ALA . 31.6 mt -72.36 -10.8 60.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -86.7 -45.49 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -81.74 -27.27 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 p -88.69 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.82 85.09 0.62 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.8 -57.65 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.22 120.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mm -87.29 -48.56 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.51 -34.79 18.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -41.23 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.534 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -58.93 -46.02 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.603 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 m -56.41 -37.27 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' PHE . 49.4 t0 -76.82 -49.17 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 61.1 t90 -42.79 -54.69 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' ALA . 66.4 t -40.85 -42.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CG2' ' A' ' 33' ' ' VAL . 5.2 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 m-20 -42.22 149.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -81.87 -35.71 29.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -35.34 79.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.949 ' OG ' HD13 ' A' ' 50' ' ' LEU . 51.4 p -64.85 -50.64 65.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.0 t -51.58 -35.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.857 ' HA ' HD12 ' A' ' 37' ' ' LEU . 23.6 t0 -80.38 -34.07 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 75.4 m -58.23 -26.36 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 50' ' ' LEU . 1.8 mt -96.07 -16.01 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 34' ' ' ASP . 15.5 mt -66.83 -43.12 84.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -48.84 39.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.24 -54.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.2 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.649 ' CD1' HG11 ' A' ' 64' ' ' VAL . 40.2 m-85 -144.9 157.4 44.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.29 148.87 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.62 -25.04 59.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -76.25 -54.15 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.78 -38.01 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.47 -35.47 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.39 -25.02 31.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.2 mtmm -77.22 -41.05 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -70.14 -40.29 74.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.949 HD13 ' OG ' ' A' ' 32' ' ' SER . 19.8 mt -80.9 0.56 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -41.11 10.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.23 -39.11 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.7 p -67.59 -46.38 72.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.48 91.43 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.64 42.6 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ALA . 71.3 m-20 -133.1 93.95 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.749 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mm -59.74 -51.41 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.87 -39.89 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -86.81 -31.65 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.6 -34.13 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 96.7 m -70.21 -25.01 63.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' PHE . 18.9 t70 -89.61 -41.99 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 57.5 t90 -51.8 -35.46 44.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 60' ' ' ALA . 94.3 t -60.09 -28.64 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.9 m-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.3 m-20 -46.59 135.56 8.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -72.73 -36.88 67.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -35.1 76.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.544 ' HB2' HD13 ' A' ' 50' ' ' LEU . 19.7 m -68.46 -49.0 63.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 29' ' ' ASP . 21.5 t -51.82 -38.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.851 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.3 t0 -74.5 -34.94 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.6 m -58.46 -25.16 61.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 60' ' ' ALA . 9.9 mt -95.79 -16.7 21.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.4 mt -67.54 -50.56 58.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -62.33 -48.62 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -42.23 -50.46 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 55.55 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' HG11 ' A' ' 64' ' ' VAL . 28.5 m-85 -141.85 152.15 43.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 150.72 45.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -61.84 -28.17 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.71 -54.02 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.5 -37.54 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.94 72.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 7.0 mtt-85 -84.69 -23.68 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.5 mtmm -79.17 -40.34 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.8 -37.44 79.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 32' ' ' SER . 34.5 mt -84.77 3.4 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.68 -42.86 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.95 -38.96 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.3 p -66.21 -48.77 69.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.12 89.4 0.79 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 40.07 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ALA . 77.1 m-20 -130.49 94.15 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.531 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 7.3 mm -59.58 -50.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -37.7 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -31.11 21.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -65.58 -42.18 92.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.593 HG22 ' CE2' ' A' ' 65' ' ' PHE . 94.0 m -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 65' ' ' PHE . 24.5 t70 -79.83 -42.48 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 78.4 t90 -51.09 -40.98 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 60' ' ' ALA . 46.1 t -61.53 -31.78 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE2' HG22 ' A' ' 61' ' ' THR . 1.9 m-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.4 m-20 -60.01 143.49 51.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -71.77 -47.16 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -35.33 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -68.1 -52.05 39.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' ASP . 98.5 t -49.08 -38.4 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 14.4 t70 -74.83 -37.42 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.525 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 78.5 m -55.36 -24.56 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD12 HD11 ' A' ' 50' ' ' LEU . 14.4 mt -94.88 -20.93 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.3 mt -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -49.42 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -38.83 -55.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.76 54.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 64' ' ' VAL . 31.3 m-85 -143.96 167.42 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.36 164.04 22.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -70.41 -30.24 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.04 -53.94 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.12 -37.68 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.96 -31.36 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -88.28 -24.68 23.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.7 mtmt -77.2 -41.06 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 57' ' ' ILE . 22.5 mt -83.23 5.43 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -36.79 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.43 -38.99 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 p -67.5 -57.57 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.82 80.17 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.85 -57.09 1.76 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.46 125.37 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.698 HD13 HD21 ' A' ' 50' ' ' LEU . 18.6 mm -84.02 -55.53 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.33 -38.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -75.7 -40.83 55.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.85 -40.85 96.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.8 m -61.6 -35.06 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.9 -42.6 48.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 69.1 t90 -53.38 -51.02 63.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 108.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 77.5 t -41.0 -47.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.5 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 47' ' ' ARG . 6.7 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.8 127.9 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -50.31 -41.89 51.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -35.34 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 70.0 m -65.87 -55.37 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 46' ' ' ALA . 65.6 t -45.79 -33.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 43.8 t0 -76.52 -39.96 51.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.551 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 23.6 m -52.89 -28.69 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' HD12 ' A' ' 57' ' ' ILE . 7.1 mt -90.79 -26.5 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.3 mt -57.88 -49.47 76.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -64.51 -49.98 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -38.99 -51.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.83 57.19 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 26.1 m-85 -148.54 163.6 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.95 154.98 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.9 tt0 -62.06 -32.07 72.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.47 -54.15 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.7 -36.63 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' HG13 ' A' ' 33' ' ' VAL . . . -58.59 -37.54 76.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' CG ' HG21 ' A' ' 28' ' ' ILE . 2.2 ttt180 -80.37 -25.9 38.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.8 mtmt -76.72 -40.92 47.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -66.49 -41.99 88.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 57' ' ' ILE . 18.5 mt -75.25 -18.52 60.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -50.18 54.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -79.14 -37.02 39.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.5 m -94.12 93.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.0 94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.73 52.95 1.94 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -130.36 98.86 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 50' ' ' LEU . 11.7 mm -61.0 -46.95 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -40.52 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -82.64 -36.52 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.72 -42.73 99.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 55.5 m -57.92 -30.97 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 33.6 t70 -83.27 -46.28 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 53.2 t90 -46.09 -32.3 2.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 60' ' ' ALA . 73.8 t -67.69 -45.67 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.505 HG21 ' HG2' ' A' ' 47' ' ' ARG . 5.6 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . 7.9 m-20 -45.82 145.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -83.24 -22.59 33.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.59 60.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.471 ' CA ' HD11 ' A' ' 57' ' ' ILE . 72.3 m -69.01 -54.24 16.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' HG3' ' A' ' 47' ' ' ARG . 70.9 t -47.26 -37.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.3 t70 -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.9 m -59.56 -24.22 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.77 -16.69 21.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.9 mt -67.19 -43.67 81.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -48.09 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -41.46 -54.92 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.84 51.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 36.9 m-85 -140.66 155.15 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.76 150.6 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.5 tt0 -57.53 -33.4 68.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -66.0 -53.06 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -67.17 -34.99 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.76 58.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.1 mtt180 -87.77 -43.29 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CH2' ' A' ' 63' ' ' TRP . 17.2 mtpt -52.62 -49.32 65.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -64.18 -32.81 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 28' ' ' ILE . 68.3 mt -86.76 3.07 46.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -96.89 -43.05 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.9 -39.08 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -69.8 -42.98 73.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 91.23 0.8 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.86 50.85 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 80.1 m-20 -139.02 108.29 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.471 HD11 ' CA ' ' A' ' 32' ' ' SER . 20.5 mm -68.12 -51.97 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.79 -43.83 58.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 2.7 mttt -74.47 -48.99 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.17 -45.55 68.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.601 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.9 m -55.14 -22.3 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' PHE . 56.8 t0 -88.28 -49.74 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.437 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 45.0 t90 -45.01 -49.55 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.9 t -44.13 -39.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.828 HG21 ' HG2' ' A' ' 47' ' ' ARG . 7.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.11 130.95 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -53.14 -47.0 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -35.36 67.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 m -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 87.2 t -45.16 -38.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.826 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.0 t0 -77.37 -41.16 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 55.4 m -48.75 -29.37 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -91.09 -25.84 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 34' ' ' ASP . 29.2 mt -60.32 -44.71 95.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.5 m-85 -44.21 -50.02 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.52 59.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 29.7 m-85 -146.96 167.79 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.92 161.08 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -67.93 -31.45 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.6 -54.04 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.41 -35.66 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.623 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.03 -34.04 71.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.828 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.8 mtt-85 -85.8 -35.85 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.4 mtmm -61.77 -45.35 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 57' ' ' ILE . 16.0 mt -75.54 -8.13 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -85.08 -41.16 16.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.84 -39.0 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.8 p -77.57 -53.79 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 90.34 1.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 68.96 -59.12 0.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' GLY . 66.0 m-20 -40.26 116.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.899 HD13 HD21 ' A' ' 50' ' ' LEU . 21.2 mm -79.88 -51.29 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.73 -36.65 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -78.37 -34.03 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -68.31 -42.15 79.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 86.0 m -59.77 -24.72 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.35 -50.35 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 75.0 t90 -46.34 -41.98 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.4 t -51.53 -53.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 HG22 ' CG2' ' A' ' 33' ' ' VAL . 8.6 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.44 132.85 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -64.08 -38.37 90.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -35.24 77.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.46 -53.74 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG2' HG22 ' A' ' 28' ' ' ILE . 64.9 t -46.5 -38.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.7 t0 -78.64 -38.48 39.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 m -50.92 -29.73 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 50' ' ' LEU . 5.6 mt -90.57 -24.04 20.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 31.0 mt -62.6 -39.62 94.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -41.39 74.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -51.92 -48.12 64.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.07 57.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 34.4 m-85 -144.27 157.99 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.29 -31.58 70.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -70.51 -53.62 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.58 -37.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -88.41 -25.76 22.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 20.1 mtmt -75.13 -41.69 57.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.32 -41.94 84.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 46' ' ' ALA . 22.3 mt -74.6 -25.67 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -49.79 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.81 -33.07 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 m -97.33 95.63 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.63 94.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.69 35.76 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -110.15 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 3.8 mm -57.46 -48.81 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -37.31 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -86.2 -29.95 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -67.62 -40.02 84.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 23.8 m -68.01 -21.47 65.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.92 -49.28 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 73.4 t90 -43.83 -51.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 60' ' ' ALA . 90.7 t -41.79 -46.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.5 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -58.76 148.9 27.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -74.56 -45.73 43.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.3 71.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.41 ' HB2' HD13 ' A' ' 50' ' ' LEU . 34.0 m -65.34 -53.41 44.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG11 HH11 ' A' ' 47' ' ' ARG . 87.5 t -49.63 -34.91 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.869 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t70 -78.1 -32.59 50.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.2 m -59.64 -24.97 64.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -95.96 -15.38 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.8 mt -68.48 -41.19 80.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -50.51 16.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -39.69 -55.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 143.58 54.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 64' ' ' VAL . 29.8 m-85 -146.9 148.96 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.77 151.75 46.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -53.98 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.16 -34.56 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.578 HH11 HG11 ' A' ' 33' ' ' VAL . 9.5 mtt85 -79.51 -20.76 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.5 mtmm -81.4 -40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -70.26 -39.14 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 36' ' ' LEU . 21.1 mt -83.84 1.76 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.88 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.94 -38.92 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.1 p -69.5 -47.5 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.943 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 85.35 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.9 -58.89 0.76 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.1 m-20 -40.62 123.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 50' ' ' LEU . 4.8 mm -86.4 -51.96 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.11 -35.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -42.17 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -58.18 -39.76 79.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.2 m -61.95 -31.67 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.14 -42.74 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 62.6 t90 -50.6 -49.66 55.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 60' ' ' ALA . 91.9 t -44.74 -32.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -177.91 164.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.8 169.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.25 -177.03 37.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t 177.99 149.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.725 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 p 179.39 155.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.98 137.78 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.23 131.85 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.83 75.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 m 40.6 84.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 3.4 t-80 -129.34 85.54 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.94 91.63 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.6 -61.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 152.34 17.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -12.69 21.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -149.06 96.2 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 17' ' ' ILE . 84.4 mt -94.58 60.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 18' ' ' ASP . 18.4 t70 175.8 60.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.21 90.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 53.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.0 mt -142.1 117.35 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.66 133.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.22 138.32 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.99 161.7 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 m 63.72 142.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -56.21 174.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.53 -19.85 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 51' ' ' LYS . 11.4 mt -64.87 101.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.26 137.5 58.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -64.66 -39.74 94.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -35.19 74.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' THR . 49.4 m -63.31 -55.19 26.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -45.86 -33.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.3 t0 -76.06 -39.92 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 57.1 m -51.48 -27.3 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 50' ' ' LEU . 6.0 mt -93.81 -23.59 18.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.0 mt -60.93 -40.2 92.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.7 m -72.2 -45.83 58.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -45.44 -52.92 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 137.81 61.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 32.3 m-85 -150.2 157.91 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 133.88 40.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.4 tt0 -45.08 -34.63 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.65 -54.15 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.53 -33.45 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.84 -34.42 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -84.41 -32.97 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.8 mtmt -66.4 -43.83 84.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.78 -41.85 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 HD13 ' A' ' 57' ' ' ILE . 22.7 mt -76.08 -10.67 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -81.71 -42.87 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -84.36 -38.87 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -73.68 -54.46 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.54 73.35 1.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 77.02 -54.43 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.5 m-20 -40.42 111.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.877 HD13 HD21 ' A' ' 50' ' ' LEU . 42.5 mm -71.18 -54.99 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.51 -35.94 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -79.54 -39.22 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.53 -46.02 84.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 85.1 m -56.94 -31.11 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.44 -47.7 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.637 ' CE2' ' ND2' ' A' ' 67' ' ' ASN . 81.4 t90 -43.79 -47.67 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 60' ' ' ALA . 99.3 t -48.43 -49.67 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -74.21 -53.84 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.0 m120 -40.39 -53.33 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.637 ' ND2' ' CE2' ' A' ' 63' ' ' TRP . 3.5 p-10 -142.21 147.08 35.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 158.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.45 158.14 22.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.59 26.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.39 174.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -153.22 86.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -173.87 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 166.3 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.12 130.35 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.92 159.62 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.93 121.25 3.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.75 -136.28 5.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.27 135.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.96 146.7 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t 62.0 121.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.24 174.87 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.11 149.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.56 -54.24 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 66.31 132.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -13.69 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ILE . 24.9 t0 -170.16 57.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ASP . 9.6 mm 60.24 116.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -114.87 75.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.37 155.91 39.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 53.81 3.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.8 mt 62.44 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t 62.89 148.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.26 145.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -47.66 112.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -105.04 147.32 27.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -96.17 138.77 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.35 -19.47 61.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mt -59.1 103.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.89 136.57 57.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.15 -34.04 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.33 80.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 50' ' ' LEU . 13.5 m -67.45 -54.72 17.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 78.7 t -45.44 -36.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.85 ' HA ' HD12 ' A' ' 37' ' ' LEU . 13.1 t70 -77.79 -41.67 36.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 67.7 m -48.93 -26.77 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 50' ' ' LEU . 4.5 mt -93.77 -25.93 17.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.6 mt -58.3 -46.8 85.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -66.13 -48.03 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -43.67 -55.05 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 140.11 61.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 35.5 m-85 -149.92 154.09 37.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.46 149.25 49.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -58.38 -30.9 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.22 -54.01 14.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.4 -35.35 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.19 -36.27 75.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 2.3 mtt180 -82.59 -25.51 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.7 mtmt -76.43 -41.04 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -68.2 -37.81 81.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.845 HD21 HD13 ' A' ' 57' ' ' ILE . 29.9 mt -83.94 -1.19 54.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -86.88 -35.23 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 -38.97 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.7 p -70.0 -48.96 56.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.21 86.08 0.82 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.95 -59.86 0.76 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 79.0 m-20 -40.5 122.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.845 HD13 HD21 ' A' ' 50' ' ' LEU . 19.3 mm -84.59 -52.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.0 -40.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -76.75 -42.34 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -57.37 -43.13 83.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 55.3 m -60.8 -33.3 72.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' CG ' ' ND2' ' A' ' 66' ' ' ASN . 41.2 t0 -78.17 -45.34 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.5 t90 -48.31 -48.47 35.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.0 t -46.44 -43.8 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 -80.91 -56.81 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 12.9 m-20 -41.42 -50.97 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.85 123.75 26.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.3 p -150.99 125.66 9.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.01 -145.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.75 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.16 79.65 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.1 p -40.88 -61.31 0.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.89 -58.5 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.55 95.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.46 95.34 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -128.96 88.26 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.961 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -162.33 148.1 12.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . 163.75 117.79 0.42 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -177.68 158.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER 68.5 126.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -68.84 135.2 50.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -124.8 108.85 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.3 ptm -122.58 157.48 32.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.45 140.29 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.19 143.91 27.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -136.16 92.29 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.8 mt -118.51 -138.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' H ' HG22 ' A' ' 17' ' ' ILE . 19.2 t70 47.09 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.59 157.5 1.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.79 3.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.47 120.22 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.1 t -162.05 146.7 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -125.0 174.64 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.628 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.85 111.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -110.73 161.46 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.1 p -85.06 155.63 21.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -19.11 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.767 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.2 mt -61.43 105.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.74 129.52 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -52.82 -39.71 62.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -35.22 76.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 67.9 m -66.76 -53.91 28.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 89.3 t -48.12 -35.57 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.867 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.1 t0 -80.19 -30.87 38.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -60.99 -27.04 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.06 -14.85 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 34' ' ' ASP . 14.2 mt -65.95 -47.67 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -45.29 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.1 m-85 -42.79 -48.47 5.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.595 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.28 60.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.3 m-85 -149.45 152.91 36.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.22 57.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.1 tt0 -50.43 -26.66 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -54.1 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.36 -33.72 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.4 -36.79 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HG2' HG21 ' A' ' 28' ' ' ILE . 4.6 mtt85 -82.41 -34.17 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.5 mtmt -65.3 -43.98 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -63.91 -42.04 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -74.61 -12.46 60.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.69 -35.47 15.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -97.42 21.0 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.4 p -142.79 -51.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.26 96.7 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.62 52.79 1.88 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -140.59 91.89 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.435 HD13 HD21 ' A' ' 50' ' ' LEU . 6.1 mm -61.75 -43.51 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -50.56 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -74.42 -43.3 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.702 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.03 -41.23 71.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 82.4 m -60.67 -36.66 79.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.9 t0 -76.57 -48.07 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 88.3 t90 -44.11 -50.52 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 60' ' ' ALA . 89.7 t -45.6 -48.83 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 -74.92 -55.7 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -40.41 -57.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -156.37 146.48 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -164.0 131.5 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.71 157.31 22.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.86 4.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.17 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -113.63 121.53 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -94.85 -58.51 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 0.723 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 -58.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.82 70.62 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -156.56 167.36 30.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m -39.44 151.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.0 -58.95 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.06 162.03 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.58 128.96 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.03 171.1 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.79 117.94 3.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -179.66 169.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -40.85 147.17 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.5 145.77 30.88 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.2 Cg_endo -75.02 55.83 4.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 160.08 91.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.8 mt -123.88 -138.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.479 ' H ' HG22 ' A' ' 17' ' ' ILE . 12.5 p-10 -104.78 71.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.68 91.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.2 Cg_endo -74.99 53.76 3.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 22' ' ' SER . 1.3 mm -117.31 -150.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.564 ' H ' HG22 ' A' ' 21' ' ' ILE . 1.1 t -108.53 -52.31 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -59.9 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.546 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -89.38 79.95 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -132.86 164.25 27.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.4 p -101.36 169.89 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.54 23.02 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' A' ' 47' ' ' ARG . 95.4 mt -78.19 107.22 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.66 135.85 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.69 -39.98 82.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -35.28 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 53.3 m -65.12 -53.97 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 72.9 t -46.18 -35.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.855 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.3 t0 -79.05 -36.19 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.572 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -54.95 -25.62 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 HD11 ' A' ' 50' ' ' LEU . 12.7 mt -95.66 -20.91 18.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 34' ' ' ASP . 18.8 mt -62.36 -42.21 99.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -44.94 63.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -45.2 -53.22 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.98 62.42 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 39.5 m-85 -149.21 156.01 41.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.35 137.98 51.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -47.69 -33.74 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.79 -54.09 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.47 -33.27 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.28 -37.21 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.561 ' HG2' HG21 ' A' ' 28' ' ' ILE . 10.4 mtt180 -82.28 -33.0 29.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.0 mtmm -66.67 -43.6 84.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . . . -65.72 -42.14 91.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 57' ' ' ILE . 17.1 mt -75.68 -12.03 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -80.95 -42.4 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -83.08 -38.98 21.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -75.27 -51.08 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.79 69.49 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 80.41 -51.15 4.15 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 70.4 m-20 -40.34 109.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.921 HD13 HD21 ' A' ' 50' ' ' LEU . 47.9 mm -67.27 -55.72 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 -52.29 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.59 -41.24 94.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.66 -35.51 81.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 58.0 m -65.03 -24.13 67.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.32 -47.58 7.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 84.5 t90 -43.88 -50.58 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 80.1 t -41.02 -52.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.2 m-85 -78.75 -58.96 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -63.55 88.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.87 105.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 p -132.34 127.44 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.0 -149.55 25.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.4 4.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p 46.88 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.67 126.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 p -150.76 -58.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.029 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -163.77 155.99 17.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.14 -149.79 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.72 155.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.38 -166.45 20.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.1 tp -158.9 -115.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 10' ' ' SER . 0.3 OUTLIER 73.63 -172.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.563 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.1 m -69.33 138.32 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.22 107.83 19.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.54 165.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -141.71 148.99 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.601 ' HB2' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER 62.51 158.14 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.59 124.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.601 HD11 ' HB2' ' A' ' 14' ' ' ASP . 1.9 mt -123.02 -138.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.478 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.9 OUTLIER 177.84 40.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.44 91.22 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 53.74 3.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt 62.46 134.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.47 87.42 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.37 69.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 42.99 72.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -134.2 153.52 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.39 99.22 6.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.98 21.42 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt -42.03 106.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.1 m-20 -53.25 136.7 36.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.6 -46.47 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 57' ' ' ILE . 67.4 m -65.81 -51.69 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' ASP . 92.4 t -50.75 -35.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 37' ' ' LEU . 22.9 t70 -78.94 -31.07 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 52.1 m -62.17 -25.41 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.17 -16.03 24.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.903 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.6 mt -67.38 -44.61 78.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -46.06 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.3 m-85 -44.16 -49.98 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.23 51.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.9 m-85 -141.01 150.81 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 149.64 50.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.53 -29.92 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.67 -54.1 15.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.73 -38.78 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -32.42 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -86.55 -23.22 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.6 mtmt -79.53 -40.33 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -71.22 -35.31 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.613 HD22 ' HA2' ' A' ' 55' ' ' GLY . 70.9 mt -83.9 6.18 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.44 -39.07 17.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.464 ' HG ' ' HA ' ' A' ' 50' ' ' LEU . 52.1 p -65.04 -61.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.32 61.39 0.45 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.613 ' HA2' HD22 ' A' ' 50' ' ' LEU . . . 65.43 9.59 44.25 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.65 100.93 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' SER . 19.9 mm -60.0 -53.64 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -50.83 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -68.99 -43.8 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -51.44 -35.47 39.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 74.4 m -66.14 -24.2 66.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.49 -44.35 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.9 t90 -51.51 -48.87 62.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 60' ' ' ALA . 96.3 t -44.23 -43.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -83.62 -59.06 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.938 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -40.56 -46.09 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.78 100.19 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 m 58.98 110.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.52 -155.8 14.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.92 38.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.99 130.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 179.47 150.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.65 170.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.09 -178.49 19.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.2 154.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.58 161.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.81 130.76 2.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -160.04 134.72 7.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 8' ' ' LEU . 1.6 mm? -128.81 150.22 50.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.75 121.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.7 155.83 0.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -165.89 111.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.19 137.96 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -145.32 132.67 10.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.52 21.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -173.4 41.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 41.5 mt 65.83 126.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 17' ' ' ILE . 1.2 m-20 -167.24 87.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.39 160.93 5.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 53.87 3.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 22' ' ' SER . 0.7 OUTLIER -127.77 -150.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.571 ' H ' HG22 ' A' ' 21' ' ' ILE . 29.5 t 60.32 95.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 75.41 -69.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.62 166.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -147.8 143.08 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.01 109.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -52.44 -21.69 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.558 HG22 ' CG2' ' A' ' 33' ' ' VAL . 7.3 mt -61.18 102.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m-20 -47.66 138.18 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -71.64 -38.76 70.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -35.3 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -67.44 -50.84 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ASP . 59.1 t -50.29 -39.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 37' ' ' LEU . 8.7 t70 -77.0 -34.45 57.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 40.5 m -57.4 -27.97 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 60' ' ' ALA . 12.8 mt -90.4 -23.34 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 34' ' ' ASP . 36.2 mt -61.57 -48.35 81.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.62 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -39.32 -50.52 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.09 50.51 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -137.87 165.33 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 161.83 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' HA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -70.52 -29.89 66.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -53.94 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.27 -38.99 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.39 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.02 -26.09 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 12.7 mtmt -75.76 -41.22 53.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.21 -41.75 80.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD21 HD13 ' A' ' 57' ' ' ILE . 62.1 mt -81.3 2.98 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.04 -40.05 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.6 -39.06 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 p -66.36 -49.88 65.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.15 92.97 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.38 39.75 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -128.54 95.86 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 23.1 mm -60.37 -52.94 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.6 -43.37 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -81.18 -35.41 31.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.47 -40.73 92.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 61.9 m -64.46 -31.27 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.48 -43.3 19.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 72.8 t90 -51.11 -45.98 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 60' ' ' ALA . 92.1 t -48.84 -45.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-30 -78.34 -55.58 5.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.5 m120 -40.36 -45.31 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -157.08 154.99 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m 52.86 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.29 24.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.17 5.94 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 m 62.92 135.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -58.98 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.077 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 122.25 24.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.25 152.0 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.73 178.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -57.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 110.041 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -100.64 -58.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.06 -118.3 4.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.42 116.57 31.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.69 162.27 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 169.76 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.25 168.84 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.663 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.3 ttt -178.6 136.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' HD12 ' A' ' 21' ' ' ILE . 72.4 m-20 -121.51 -54.59 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . 2.0 p30 -58.82 131.87 86.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.12 21.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -168.76 45.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.3 mt 61.54 122.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' OD1' ' CB ' ' A' ' 14' ' ' ASP . 10.0 p-10 177.67 59.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.844 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . 55.03 177.89 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.01 -160.73 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' ASP . 21.8 mt -141.46 116.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t 60.42 98.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 21.8 p80 -140.8 100.87 3.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.68 147.09 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.5 m 59.55 151.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -81.32 99.08 8.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.48 -19.51 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' ' 47' ' ' ARG . 6.6 mt -63.54 97.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.47 130.49 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -60.66 -34.32 74.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.5 ' HB3' HD11 ' A' ' 57' ' ' ILE . 57.6 m -63.77 -53.62 48.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 46' ' ' ALA . 73.6 t -46.8 -37.62 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.864 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.2 t0 -73.38 -36.8 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.7 m -58.07 -25.16 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 50' ' ' LEU . 12.5 mt -95.99 -19.41 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.864 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.9 mt -62.7 -39.49 94.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -46.2 34.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.7 m-85 -42.26 -51.16 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.68 59.37 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 33.3 m-85 -148.84 162.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.58 139.8 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.746 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -49.66 -35.01 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -54.1 38.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.07 -35.07 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.687 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.2 -31.95 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -87.28 -30.78 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.8 mtmm -68.92 -43.29 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.84 -42.1 81.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.873 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -75.85 -4.7 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.03 -39.28 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -88.07 -39.05 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -73.02 -56.91 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.18 69.37 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 79.5 -51.89 4.03 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' GLY . 69.6 m-20 -40.06 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.873 HD13 HD21 ' A' ' 50' ' ' LEU . 43.5 mm -69.59 -55.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.38 -43.75 11.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -69.42 -46.77 66.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.93 -41.47 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.1 m -59.1 -29.76 67.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -81.74 -50.43 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.0 t90 -44.39 -49.68 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 82.8 t -42.84 -50.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.6 m-85 -78.14 -56.27 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -42.86 -51.67 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -128.42 99.62 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.13 17.78 20.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.91 158.01 30.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.06 32.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.38 160.17 26.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.0 p -121.67 94.03 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.37 156.17 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -168.14 170.35 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.0 178.56 34.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 p -153.55 166.22 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -151.46 142.93 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.16 103.45 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -89.27 -159.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER 57.97 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.1 p -154.96 139.07 16.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 69.29 167.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.23 131.85 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.9 p30 179.86 163.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' CG ' HD11 ' A' ' 17' ' ' ILE . 5.9 m-20 -96.5 132.62 26.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.79 109.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 17' ' ' ILE . 17.4 mm -90.57 59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 177.5 94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.01 154.64 1.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.4 mt 62.49 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.23 157.0 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -87.22 68.31 9.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 172.15 73.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -156.49 149.27 23.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -102.07 173.88 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.57 -18.6 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.71 106.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.86 124.68 23.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.99 -38.28 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -35.29 76.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 71.1 m -64.89 -50.69 65.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -50.22 -36.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.2 t70 -75.86 -31.81 59.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.0 m -62.95 -25.56 68.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -95.99 -15.09 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 34' ' ' ASP . 17.3 mt -65.53 -40.29 92.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -45.04 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 4.1 m-85 -42.09 -48.54 4.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.46 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.3 m-85 -147.22 158.42 43.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.46 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -48.02 -34.84 10.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.09 34.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -36.99 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.44 -33.27 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -85.37 -27.65 25.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmm -72.11 -42.61 65.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.55 -42.17 83.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 57' ' ' ILE . 10.8 mt -77.49 -6.94 55.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -88.82 -34.59 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.19 -37.03 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -82.57 -38.7 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 113.52 -96.98 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -126.85 -40.79 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.82 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.856 HD13 HD21 ' A' ' 50' ' ' LEU . 30.8 mm -50.17 -50.52 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -39.14 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -73.59 -41.96 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.63 -41.52 99.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 87.7 m -58.81 -29.58 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.96 -51.4 9.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 86.6 t90 -45.58 -49.22 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.5 t -41.84 -49.42 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.3 m-85 -82.01 -58.62 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -68.87 93.31 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 68.28 121.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 t -118.87 159.84 23.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.65 162.99 19.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.53 42.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.71 95.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -177.86 121.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.62 169.76 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.59 -58.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.36 -164.27 12.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.63 102.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -166.21 157.54 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.38 -165.18 30.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.39 130.35 17.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.71 140.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.22 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -125.82 167.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.51 62.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 59.54 163.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.41 134.07 52.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.86 21.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ILE . 19.0 m-20 -174.11 68.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 20' ' ' PRO . 81.0 mt 61.33 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.673 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 2.4 p30 -79.7 61.91 3.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 18' ' ' ASP . . . 82.04 92.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.828 ' O ' HD13 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.828 HD13 ' O ' ' A' ' 20' ' ' PRO . 1.3 mm -129.79 -150.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.572 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -163.57 138.29 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.63 70.06 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -150.35 133.69 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.1 t -98.74 137.24 37.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.521 ' OG ' HD12 ' A' ' 28' ' ' ILE . 4.9 t 63.54 144.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -19.13 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.521 HD12 ' OG ' ' A' ' 26' ' ' SER . 7.7 mt -62.18 103.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.1 139.07 18.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -66.75 -47.75 71.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -35.35 48.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' THR . 41.3 m -65.96 -57.72 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 92.4 t -43.53 -38.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.839 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.7 t70 -76.19 -42.46 46.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 73.7 m -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD12 HD11 ' A' ' 50' ' ' LEU . 12.8 mt -90.65 -25.9 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.4 mt -60.75 -40.45 92.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -69.57 -45.21 69.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -46.84 -49.68 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.96 58.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 35.7 m-85 -144.96 164.26 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.47 159.38 30.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -31.19 71.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.49 -54.08 9.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.22 -36.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.61 -36.29 73.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mtt180 -82.54 -33.14 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.7 mtmm -66.02 -43.85 86.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.63 -41.64 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 57' ' ' ILE . 23.3 mt -76.13 -2.66 32.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.42 -39.4 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.13 -39.12 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 p -67.69 -60.54 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.8 62.48 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.8 -45.12 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.9 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.878 ' CD1' HD21 ' A' ' 50' ' ' LEU . 11.5 mm -71.4 -36.81 62.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -88.55 -28.47 20.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -73.33 -39.15 65.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 94.6 m -66.85 -30.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 25.3 t0 -82.89 -44.63 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 83.9 t90 -49.34 -50.52 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.2 t -43.98 -41.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 -83.85 -57.92 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 62' ' ' ASP . 56.7 m-20 -42.45 -49.63 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.49 136.58 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -163.22 138.52 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.67 -145.42 3.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 79.03 2.77 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.47 147.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -161.28 152.87 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.96 141.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.8 p -166.51 83.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.43 -136.33 9.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.48 89.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.57 -142.48 40.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.04 150.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.15 111.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -126.24 148.02 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.051 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -147.88 81.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.51 147.54 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -146.88 153.51 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -161.32 140.05 7.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.09 19.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.12 101.27 3.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.0 OUTLIER -100.47 -137.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.477 ' H ' HG22 ' A' ' 17' ' ' ILE . 19.1 m-20 -114.93 66.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.846 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . -170.3 177.88 0.96 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.846 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -74.97 -160.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -123.9 -150.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 21' ' ' ILE . 36.0 t 66.1 -73.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.958 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 64.18 169.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -171.21 75.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -140.21 167.04 23.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m 60.29 156.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 22.01 13.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.9 mt -56.36 104.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.92 137.28 55.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -64.21 -35.47 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -35.23 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 60.5 m -64.07 -52.74 57.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG11 HH11 ' A' ' 47' ' ' ARG . 80.6 t -48.05 -36.64 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t0 -77.79 -34.01 52.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 94.4 m -56.9 -23.99 48.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.62 -18.23 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 34' ' ' ASP . 44.9 mt -68.5 -53.79 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.88 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -47.15 -47.21 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.79 55.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -138.22 156.44 47.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.57 144.92 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -59.66 -27.48 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -76.75 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 64' ' ' VAL . 2.8 t -54.37 -36.42 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.07 72.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HG11 ' A' ' 33' ' ' VAL . 8.7 mtt85 -84.3 -27.21 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmt -75.89 -40.61 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 60' ' ' ALA . . . -68.89 -42.04 77.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 60' ' ' ALA . 70.6 mt -78.08 -2.13 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -35.79 17.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -94.86 -34.48 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 59' ' ' LYS . 5.8 m -75.48 -55.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . . . 92.12 94.87 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.18 30.06 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 84.2 m-20 -118.48 76.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.6 mm -40.39 -54.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.1 -53.88 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 9.6 mttm -68.07 -37.41 81.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.82 -33.68 73.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.2 m -71.59 -11.8 61.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.0 -34.48 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.482 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 59.3 t90 -62.3 -35.34 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.005 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 60' ' ' ALA . 27.7 t -61.68 -58.36 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.7 m-30 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.49 -52.57 2.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 68' ' ' SER . 18.4 p30 -84.68 -36.84 21.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -87.26 98.6 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.64 157.63 24.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 132.17 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.6 p -89.91 113.99 25.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -113.36 -56.94 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.51 172.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 62.14 163.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.79 175.17 18.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.27 -59.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.07 164.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.46 118.89 3.36 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -93.24 -160.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt 61.04 61.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 t -177.37 118.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -154.04 -61.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.567 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 165.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.61 126.33 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.03 156.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.14 21.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -154.31 89.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 17' ' ' ILE . 81.0 mt -87.1 58.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 176.51 59.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -169.5 88.81 0.58 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.722 ' O ' HD13 ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.836 HG21 ' OE1' ' A' ' 24' ' ' GLN . 1.3 mm -126.83 -150.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.564 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -176.03 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 8.1 m-70 -92.11 -65.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.836 ' OE1' HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER 78.9 141.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 25' ' ' THR . 1.4 m -83.54 4.52 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m 39.53 80.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.84 15.15 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 51' ' ' LYS . 88.3 mt -62.37 99.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.72 125.82 27.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -50.42 -35.43 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' THR . 46.6 m -65.32 -53.81 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 46' ' ' ALA . 69.6 t -48.79 -35.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 9.3 t0 -76.64 -31.52 57.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 98.8 m -63.22 -24.01 67.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 50' ' ' LEU . 11.3 mt -96.09 -16.17 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 20.1 mt -64.93 -44.79 88.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -47.8 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.96 -48.57 2.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.3 55.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 23.6 m-85 -148.44 156.91 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.04 146.26 41.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.626 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -53.1 -33.38 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -66.43 -54.24 26.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.04 -34.87 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.34 -34.27 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -84.5 -33.09 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 16.5 mtmt -65.34 -44.36 88.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.17 -42.19 84.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 36' ' ' LEU . 20.1 mt -77.48 -8.22 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -88.47 -37.81 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.93 -36.32 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -85.88 -44.39 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 119.29 -94.66 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -127.15 -40.62 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.74 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 35' ' ' THR . 3.4 mm -51.41 -49.73 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.83 -35.88 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.51 -45.88 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.77 -32.88 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 98.0 m -62.96 -33.27 75.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.2 t0 -79.64 -47.13 15.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.609 ' CE2' ' ND2' ' A' ' 67' ' ' ASN . 77.7 t90 -44.43 -51.07 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.4 t -44.8 -47.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 -75.87 -56.57 4.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' PHE . 30.1 m-20 -40.55 -52.57 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.609 ' ND2' ' CE2' ' A' ' 63' ' ' TRP . 0.4 OUTLIER -155.34 144.74 21.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -167.69 148.22 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.23 -168.22 25.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 147.64 34.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -57.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.024 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.05 117.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -169.11 138.03 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.68 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.97 131.33 9.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.67 161.37 34.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.12 89.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.08 -169.43 1.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.78 134.08 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.24 62.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.96 145.91 45.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -72.75 95.44 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 12' ' ' MET . 0.2 OUTLIER 47.09 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.38 103.02 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -154.93 131.27 5.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.57 13.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 171.18 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.597 HG22 ' HD3' ' A' ' 20' ' ' PRO . 38.9 mt -148.11 107.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -97.31 68.69 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.24 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.597 ' HD3' HG22 ' A' ' 17' ' ' ILE . 18.2 Cg_endo -75.05 53.8 3.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mm -135.47 113.76 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -77.41 99.45 5.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -99.07 171.78 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.76 169.75 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -43.49 156.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -66.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.72 22.84 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.662 HG21 ' HG2' ' A' ' 47' ' ' ARG . 78.5 mt -48.7 105.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.26 130.26 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -52.4 -41.94 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -35.33 75.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' THR . 58.3 m -66.97 -53.13 34.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 47' ' ' ARG . 77.2 t -44.8 -38.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.2 t70 -78.29 -36.26 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.7 m -52.7 -26.48 14.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 HD11 ' A' ' 50' ' ' LEU . 5.2 mt -93.49 -22.85 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.1 mt -62.48 -51.12 68.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 m -61.12 -47.76 84.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -44.33 -52.91 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.13 58.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.2 m-85 -147.45 155.65 42.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.36 49.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 -34.93 10.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -54.06 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.23 -36.7 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -56.97 -34.34 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HG2' HG21 ' A' ' 28' ' ' ILE . 19.5 mtt180 -84.61 -42.64 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 18.5 mtpt -51.72 -49.76 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -63.07 -41.95 99.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 46' ' ' ALA . 31.6 mt -72.36 -10.8 60.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -86.7 -45.49 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -81.74 -27.27 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 p -88.69 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.82 85.09 0.62 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.8 -57.65 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.22 120.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mm -87.29 -48.56 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.51 -34.79 18.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -41.23 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.534 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -58.93 -46.02 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.603 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 m -56.41 -37.27 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' PHE . 49.4 t0 -76.82 -49.17 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 61.1 t90 -42.79 -54.69 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' ALA . 66.4 t -40.85 -42.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 0.7 OUTLIER -85.18 -59.04 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' ND2' ' OD2' ' A' ' 62' ' ' ASP . 12.2 m-20 -40.66 -46.14 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.19 133.85 36.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 p -121.48 113.46 19.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.51 161.43 10.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' GLY . 8.8 t 63.14 123.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m 65.84 -75.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.955 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.61 166.69 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 p -136.26 -58.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 -63.97 3.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p 58.02 163.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.01 158.42 34.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.93 -152.08 6.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.08 137.27 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.48 172.16 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.5 m 61.11 154.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.77 104.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.606 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtp -177.67 148.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.51 169.83 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 150.84 64.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.38 21.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 175.97 122.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG22 ' H ' ' A' ' 18' ' ' ASP . 2.0 mt -115.35 -138.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 p30 -102.17 67.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 52.22 91.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.534 ' O ' HD13 ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.95 53.77 3.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 20' ' ' PRO . 4.7 mm -129.79 109.87 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -90.51 138.02 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.68 159.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -134.42 127.73 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -64.87 151.79 44.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -65.61 109.1 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.81 19.84 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CG2' ' A' ' 33' ' ' VAL . 5.2 mt -41.29 103.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 m-20 -42.22 149.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -81.87 -35.71 29.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -35.34 79.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.949 ' OG ' HD13 ' A' ' 50' ' ' LEU . 51.4 p -64.85 -50.64 65.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.0 t -51.58 -35.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.857 ' HA ' HD12 ' A' ' 37' ' ' LEU . 23.6 t0 -80.38 -34.07 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 75.4 m -58.23 -26.36 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 50' ' ' LEU . 1.8 mt -96.07 -16.01 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 34' ' ' ASP . 15.5 mt -66.83 -43.12 84.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -48.84 39.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.24 -54.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.2 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.649 ' CD1' HG11 ' A' ' 64' ' ' VAL . 40.2 m-85 -144.9 157.4 44.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.29 148.87 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.62 -25.04 59.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -76.25 -54.15 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.78 -38.01 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.47 -35.47 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.39 -25.02 31.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.2 mtmm -77.22 -41.05 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -70.14 -40.29 74.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.949 HD13 ' OG ' ' A' ' 32' ' ' SER . 19.8 mt -80.9 0.56 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -41.11 10.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.23 -39.11 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.7 p -67.59 -46.38 72.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.48 91.43 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.64 42.6 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ALA . 71.3 m-20 -133.1 93.95 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.749 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mm -59.74 -51.41 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.87 -39.89 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -86.81 -31.65 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.6 -34.13 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 96.7 m -70.21 -25.01 63.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' PHE . 18.9 t70 -89.61 -41.99 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 57.5 t90 -51.8 -35.46 44.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 60' ' ' ALA . 94.3 t -60.09 -28.64 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.9 m-30 -96.18 -12.26 24.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' TRP . 5.9 m-80 -117.25 -172.42 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 63' ' ' TRP . 5.3 m-80 57.58 94.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.64 112.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.94 157.65 50.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 p -149.57 157.01 42.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.5 p -142.12 -57.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.93 168.8 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.65 155.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.41 -67.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 63.37 156.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -147.64 166.67 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.939 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.48 -159.2 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.32 153.09 19.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -171.69 143.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -139.1 -57.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.7 -62.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 mtt 60.68 80.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.05 164.86 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.9 131.23 91.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.2 Cg_endo -75.02 -16.74 19.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 1.7 m-20 156.43 74.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 17' ' ' ILE . 65.6 mt -101.91 61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 12.3 t70 176.36 94.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' ASP . . . 178.55 157.04 0.6 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 53.72 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.463 1.77 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -139.92 114.25 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t 58.81 113.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -137.62 -64.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.74 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' HIS . 1.1 t -128.83 4.1 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 p 63.31 -165.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 164.71 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.1 mt -50.27 103.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.3 m-20 -46.59 135.56 8.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -72.73 -36.88 67.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -35.1 76.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.544 ' HB2' HD13 ' A' ' 50' ' ' LEU . 19.7 m -68.46 -49.0 63.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 29' ' ' ASP . 21.5 t -51.82 -38.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.851 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.3 t0 -74.5 -34.94 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.6 m -58.46 -25.16 61.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 60' ' ' ALA . 9.9 mt -95.79 -16.7 21.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.4 mt -67.54 -50.56 58.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -62.33 -48.62 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -42.23 -50.46 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 55.55 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' HG11 ' A' ' 64' ' ' VAL . 28.5 m-85 -141.85 152.15 43.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 150.72 45.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -61.84 -28.17 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.71 -54.02 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.5 -37.54 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.94 72.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 7.0 mtt-85 -84.69 -23.68 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.5 mtmm -79.17 -40.34 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.8 -37.44 79.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 32' ' ' SER . 34.5 mt -84.77 3.4 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.68 -42.86 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.95 -38.96 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.3 p -66.21 -48.77 69.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.12 89.4 0.79 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 40.07 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ALA . 77.1 m-20 -130.49 94.15 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 7.3 mm -59.58 -50.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -37.7 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -31.11 21.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -65.58 -42.18 92.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.593 HG22 ' CE2' ' A' ' 65' ' ' PHE . 94.0 m -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' ASN . 24.5 t70 -79.83 -42.48 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 78.4 t90 -51.09 -40.98 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 60' ' ' ALA . 46.1 t -61.53 -31.78 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE2' HG22 ' A' ' 61' ' ' THR . 1.9 m-30 -93.11 -10.35 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.6 m-80 -118.43 -173.45 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.18 92.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.62 92.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.8 -168.79 15.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 58.99 5.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -167.2 74.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 t -144.21 149.15 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -152.19 -58.26 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.753 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 50.07 83.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.74 136.57 9.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -154.89 105.14 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.95 159.32 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.91 -169.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.38 160.46 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.6 150.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.27 136.28 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 147.57 50.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -56.07 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 t0 55.62 168.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.87 133.5 25.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.73 20.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER 166.94 125.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 16' ' ' ASP . 22.8 mt -153.46 108.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 16.1 t0 173.94 57.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . 73.74 177.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.99 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mt -142.89 116.85 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -176.13 95.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.054 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -133.17 -61.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.64 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -154.4 175.61 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.8 m 65.55 131.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.87 162.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.61 -29.78 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -45.09 104.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.4 m-20 -60.01 143.49 51.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -71.77 -47.16 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -35.33 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -68.1 -52.05 39.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' ASP . 98.5 t -49.08 -38.4 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 14.4 t70 -74.83 -37.42 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.525 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 78.5 m -55.36 -24.56 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD12 HD11 ' A' ' 50' ' ' LEU . 14.4 mt -94.88 -20.93 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.3 mt -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -49.42 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -38.83 -55.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.76 54.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 64' ' ' VAL . 31.3 m-85 -143.96 167.42 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.36 164.04 22.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -70.41 -30.24 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.04 -53.94 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.12 -37.68 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.96 -31.36 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -88.28 -24.68 23.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.7 mtmt -77.2 -41.06 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 57' ' ' ILE . 22.5 mt -83.23 5.43 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -36.79 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.43 -38.99 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 p -67.5 -57.57 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.82 80.17 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.85 -57.09 1.76 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.46 125.37 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.698 HD13 HD21 ' A' ' 50' ' ' LEU . 18.6 mm -84.02 -55.53 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.33 -38.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -75.7 -40.83 55.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.85 -40.85 96.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.8 m -61.6 -35.06 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.9 -42.6 48.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CZ2' ' OD1' ' A' ' 67' ' ' ASN . 69.1 t90 -53.38 -51.02 63.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 108.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 77.5 t -41.0 -47.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.5 m-85 -79.07 -52.25 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -79.95 94.69 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.569 ' OD1' ' CZ2' ' A' ' 63' ' ' TRP . 0.3 OUTLIER 177.61 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 p 63.23 116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.17 116.55 4.42 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -45.79 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 t -114.2 127.37 55.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t 48.22 88.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.5 108.75 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m 63.39 135.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.8 -148.31 6.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.61 93.66 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -151.32 139.95 20.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 -142.48 13.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.38 161.77 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.43 143.48 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 p -174.51 165.18 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -124.07 133.49 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.34 125.48 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.89 168.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.646 ' CG ' HD11 ' A' ' 17' ' ' ILE . 3.8 p-10 -45.61 131.53 6.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -74.92 -14.05 21.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 162.81 126.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.646 HD11 ' CG ' ' A' ' 14' ' ' ASP . 2.0 mt -119.18 -138.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.477 ' H ' HG22 ' A' ' 17' ' ' ILE . 13.3 p-10 -101.68 69.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 43.55 90.14 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.58 HG22 ' H ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -139.28 -150.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.58 ' H ' HG22 ' A' ' 21' ' ' ILE . 3.3 t 84.73 -64.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 168.95 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.572 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.7 73.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -63.9 144.57 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.7 p -135.01 96.23 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 23.82 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 47' ' ' ARG . 6.7 mt -57.04 104.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.8 127.9 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -50.31 -41.89 51.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -35.34 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 70.0 m -65.87 -55.37 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 46' ' ' ALA . 65.6 t -45.79 -33.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 43.8 t0 -76.52 -39.96 51.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.551 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 23.6 m -52.89 -28.69 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' HD12 ' A' ' 57' ' ' ILE . 7.1 mt -90.79 -26.5 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.3 mt -57.88 -49.47 76.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -64.51 -49.98 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -38.99 -51.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.83 57.19 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 26.1 m-85 -148.54 163.6 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.95 154.98 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.9 tt0 -62.06 -32.07 72.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.47 -54.15 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.7 -36.63 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' HG13 ' A' ' 33' ' ' VAL . . . -58.59 -37.54 76.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' CG ' HG21 ' A' ' 28' ' ' ILE . 2.2 ttt180 -80.37 -25.9 38.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.8 mtmt -76.72 -40.92 47.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -66.49 -41.99 88.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 57' ' ' ILE . 18.5 mt -75.25 -18.52 60.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -50.18 54.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -79.14 -37.02 39.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.5 m -94.12 93.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.0 94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.73 52.95 1.94 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -130.36 98.86 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 50' ' ' LEU . 11.7 mm -61.0 -46.95 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -40.52 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -82.64 -36.52 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.72 -42.73 99.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 55.5 m -57.92 -30.97 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 33.6 t70 -83.27 -46.28 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 53.2 t90 -46.09 -32.3 2.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 60' ' ' ALA . 73.8 t -67.69 -45.67 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 -77.14 -14.48 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' TRP . 7.9 m120 -118.04 -171.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.4 88.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.54 96.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.5 -168.39 22.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.44 159.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 95.13 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.1 169.45 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -107.41 -58.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.67 -161.53 32.29 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p -51.17 163.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -174.48 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.88 111.47 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.55 115.79 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.45 148.5 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.54 158.95 17.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -83.5 -61.68 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.622 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -172.88 83.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 57.11 167.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' CB ' HD11 ' A' ' 17' ' ' ILE . 5.8 p-10 -92.29 132.61 31.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -75.01 -13.55 21.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 2.2 m-20 156.93 128.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.6 mt -124.22 -138.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' H ' HG22 ' A' ' 17' ' ' ILE . 8.1 t70 -103.53 59.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -168.49 91.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 53.77 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.4 mt 62.57 134.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.54 149.13 24.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -171.7 124.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.02 175.36 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -114.18 158.63 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.85 -169.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.26 18.25 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.505 HG21 ' HG2' ' A' ' 47' ' ' ARG . 5.6 mt -44.19 106.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . 7.9 m-20 -45.82 145.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -83.24 -22.59 33.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.59 60.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.471 ' CA ' HD11 ' A' ' 57' ' ' ILE . 72.3 m -69.01 -54.24 16.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' HG3' ' A' ' 47' ' ' ARG . 70.9 t -47.26 -37.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.3 t70 -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.9 m -59.56 -24.22 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.77 -16.69 21.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.9 mt -67.19 -43.67 81.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -48.09 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -41.46 -54.92 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.84 51.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 36.9 m-85 -140.66 155.15 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.76 150.6 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.5 tt0 -57.53 -33.4 68.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -66.0 -53.06 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -67.17 -34.99 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.76 58.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.1 mtt180 -87.77 -43.29 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CH2' ' A' ' 63' ' ' TRP . 17.2 mtpt -52.62 -49.32 65.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -64.18 -32.81 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 28' ' ' ILE . 68.3 mt -86.76 3.07 46.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -96.89 -43.05 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.9 -39.08 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -69.8 -42.98 73.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 91.23 0.8 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.86 50.85 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 80.1 m-20 -139.02 108.29 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.471 HD11 ' CA ' ' A' ' 32' ' ' SER . 20.5 mm -68.12 -51.97 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.79 -43.83 58.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 2.7 mttt -74.47 -48.99 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.17 -45.55 68.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.601 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.9 m -55.14 -22.3 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' PHE . 56.8 t0 -88.28 -49.74 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.437 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 45.0 t90 -45.01 -49.55 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.9 t -44.13 -39.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -89.28 -56.89 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.42 -51.42 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -109.45 106.5 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.07 142.05 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.73 -176.24 35.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.83 30.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.13 100.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -163.08 143.01 8.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 159.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.32 -156.01 23.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.67 169.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 0.761 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -148.93 122.08 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.13 -98.89 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.08 143.0 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.66 132.65 53.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -169.59 141.1 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -139.09 164.24 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.54 -59.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t0 63.0 103.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' HB3' HD12 ' A' ' 17' ' ' ILE . 11.9 p-10 -126.17 131.65 24.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.26 12.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 t0 174.52 51.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 17' ' ' ILE . 79.9 mt -86.69 60.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 176.81 94.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . -176.78 178.74 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.08 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 21' ' ' ILE . 17.1 mt -109.87 41.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 174.36 140.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.007 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -155.65 -61.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 124.89 28.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -60.02 150.44 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -45.19 127.97 7.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 23.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.828 HG21 ' HG2' ' A' ' 47' ' ' ARG . 7.6 mt -53.12 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.11 130.95 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -53.14 -47.0 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -35.36 67.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 m -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 87.2 t -45.16 -38.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.826 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.0 t0 -77.37 -41.16 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 55.4 m -48.75 -29.37 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -91.09 -25.84 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 34' ' ' ASP . 29.2 mt -60.32 -44.71 95.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.5 m-85 -44.21 -50.02 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.52 59.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 29.7 m-85 -146.96 167.79 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.92 161.08 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -67.93 -31.45 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.6 -54.04 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.41 -35.66 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.623 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.03 -34.04 71.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.828 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.8 mtt-85 -85.8 -35.85 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.4 mtmm -61.77 -45.35 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 57' ' ' ILE . 16.0 mt -75.54 -8.13 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -85.08 -41.16 16.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.84 -39.0 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.8 p -77.57 -53.79 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 90.34 1.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 68.96 -59.12 0.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' GLY . 66.0 m-20 -40.26 116.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.899 HD13 HD21 ' A' ' 50' ' ' LEU . 21.2 mm -79.88 -51.29 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.73 -36.65 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -78.37 -34.03 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -68.31 -42.15 79.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 86.0 m -59.77 -24.72 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.6 t70 -85.35 -50.35 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 75.0 t90 -46.34 -41.98 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.4 t -51.53 -53.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.7 m-85 -79.66 -11.93 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 m-80 -106.8 -171.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 53.84 90.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -155.73 133.34 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.8 -157.51 30.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t 68.73 149.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.3 113.54 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -47.69 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m 56.52 -91.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.0 -168.77 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.4 -57.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.18 166.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 -103.8 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.65 144.55 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.89 155.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.44 ' C ' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.51 104.49 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.59 73.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.612 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 162.04 20.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.05 93.39 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.13 146.57 99.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -90.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.484 ' C ' HD13 ' A' ' 17' ' ' ILE . 9.7 t0 -124.19 77.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD13 ' C ' ' A' ' 16' ' ' ASP . 3.0 mm -115.11 -138.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 17' ' ' ILE . 15.0 t0 -94.53 67.84 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.32 109.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.87 3.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.7 mt 62.57 134.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -176.83 -69.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -168.65 152.23 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.589 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -106.49 140.46 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -139.1 152.22 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.38 -67.55 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 64.62 21.68 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 HG22 ' CG2' ' A' ' 33' ' ' VAL . 8.6 mt -40.39 101.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.44 132.85 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -64.08 -38.37 90.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -35.24 77.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.46 -53.74 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG2' HG22 ' A' ' 28' ' ' ILE . 64.9 t -46.5 -38.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.7 t0 -78.64 -38.48 39.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 m -50.92 -29.73 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 50' ' ' LEU . 5.6 mt -90.57 -24.04 20.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 31.0 mt -62.6 -39.62 94.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -41.39 74.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -51.92 -48.12 64.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.07 57.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 34.4 m-85 -144.27 157.99 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.29 -31.58 70.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -70.51 -53.62 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.58 -37.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -88.41 -25.76 22.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 20.1 mtmt -75.13 -41.69 57.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.32 -41.94 84.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 46' ' ' ALA . 22.3 mt -74.6 -25.67 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -49.79 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.81 -33.07 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 m -97.33 95.63 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.63 94.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.69 35.76 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -110.15 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 3.8 mm -57.46 -48.81 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -37.31 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -86.2 -29.95 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -67.62 -40.02 84.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 23.8 m -68.01 -21.47 65.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.92 -49.28 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 73.4 t90 -43.83 -51.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 60' ' ' ALA . 90.7 t -41.79 -46.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 0.9 OUTLIER -82.06 -46.89 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.1 80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 63' ' ' TRP . 78.0 m-20 -156.72 150.76 24.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -142.07 116.03 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.82 157.53 8.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 91.0 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.33 119.74 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 t 53.21 85.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.38 120.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.82 135.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 108.07 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -73.27 164.15 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 0.724 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.17 -58.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 -121.87 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.09 149.07 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -113.49 111.57 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -157.61 98.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -138.75 131.26 28.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.35 -53.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.13 112.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.11 163.12 8.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.27 9.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -175.95 116.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 18' ' ' ASP . 2.3 mt -115.3 -138.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.6 OUTLIER 39.86 89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.74 104.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.01 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' PRO . 2.0 mm 61.84 130.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -148.37 -64.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 57.81 81.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -143.52 144.75 32.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -41.02 136.72 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.0 p -118.17 115.03 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.41 19.4 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.5 mt -41.86 103.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -58.76 148.9 27.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -74.56 -45.73 43.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.3 71.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.41 ' HB2' HD13 ' A' ' 50' ' ' LEU . 34.0 m -65.34 -53.41 44.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG11 HH11 ' A' ' 47' ' ' ARG . 87.5 t -49.63 -34.91 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.869 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t70 -78.1 -32.59 50.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.2 m -59.64 -24.97 64.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -95.96 -15.38 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.8 mt -68.48 -41.19 80.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -50.51 16.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -39.69 -55.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 143.58 54.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 64' ' ' VAL . 29.8 m-85 -146.9 148.96 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.77 151.75 46.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -53.98 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.16 -34.56 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.578 HH11 HG11 ' A' ' 33' ' ' VAL . 9.5 mtt85 -79.51 -20.76 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.5 mtmm -81.4 -40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -70.26 -39.14 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 36' ' ' LEU . 21.1 mt -83.84 1.76 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.88 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.94 -38.92 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.1 p -69.5 -47.5 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.943 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 85.35 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.9 -58.89 0.76 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.1 m-20 -40.62 123.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 50' ' ' LEU . 4.8 mm -86.4 -51.96 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.11 -35.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -42.17 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -58.18 -39.76 79.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.2 m -61.95 -31.67 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.14 -42.74 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 62.6 t90 -50.6 -49.66 55.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 60' ' ' ALA . 91.9 t -44.74 -32.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 -93.34 -58.58 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -42.6 -54.07 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.083 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.81 107.17 6.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -132.6 125.56 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.15 163.82 3.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.45 16.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 m -66.3 141.71 57.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.56 168.34 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 51' ' ' LYS . 11.4 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.26 137.5 58.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -64.66 -39.74 94.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -35.19 74.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' THR . 49.4 m -63.31 -55.19 26.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -45.86 -33.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.3 t0 -76.06 -39.92 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 57.1 m -51.48 -27.3 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 50' ' ' LEU . 6.0 mt -93.81 -23.59 18.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.0 mt -60.93 -40.2 92.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.7 m -72.2 -45.83 58.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -45.44 -52.92 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 137.81 61.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 32.3 m-85 -150.2 157.91 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 133.88 40.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.4 tt0 -45.08 -34.63 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.65 -54.15 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.53 -33.45 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.84 -34.42 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -84.41 -32.97 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.8 mtmt -66.4 -43.83 84.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.78 -41.85 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 HD13 ' A' ' 57' ' ' ILE . 22.7 mt -76.08 -10.67 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -81.71 -42.87 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -84.36 -38.87 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -73.68 -54.46 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.54 73.35 1.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 77.02 -54.43 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.5 m-20 -40.42 111.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.877 HD13 HD21 ' A' ' 50' ' ' LEU . 42.5 mm -71.18 -54.99 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.51 -35.94 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -79.54 -39.22 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.53 -46.02 84.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 85.1 m -56.94 -31.11 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.44 -47.7 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.4 t90 -43.79 -47.67 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 60' ' ' ALA . 99.3 t -48.43 -49.67 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.89 136.57 57.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.15 -34.04 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.33 80.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 50' ' ' LEU . 13.5 m -67.45 -54.72 17.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 78.7 t -45.44 -36.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.85 ' HA ' HD12 ' A' ' 37' ' ' LEU . 13.1 t70 -77.79 -41.67 36.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 67.7 m -48.93 -26.77 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 50' ' ' LEU . 4.5 mt -93.77 -25.93 17.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.6 mt -58.3 -46.8 85.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -66.13 -48.03 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -43.67 -55.05 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 140.11 61.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 35.5 m-85 -149.92 154.09 37.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.46 149.25 49.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -58.38 -30.9 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.22 -54.01 14.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.4 -35.35 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.19 -36.27 75.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 2.3 mtt180 -82.59 -25.51 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.7 mtmt -76.43 -41.04 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -68.2 -37.81 81.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.845 HD21 HD13 ' A' ' 57' ' ' ILE . 29.9 mt -83.94 -1.19 54.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -86.88 -35.23 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 -38.97 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.7 p -70.0 -48.96 56.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.21 86.08 0.82 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.95 -59.86 0.76 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 79.0 m-20 -40.5 122.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.845 HD13 HD21 ' A' ' 50' ' ' LEU . 19.3 mm -84.59 -52.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.0 -40.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -76.75 -42.34 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -57.37 -43.13 83.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 55.3 m -60.8 -33.3 72.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t0 -78.17 -45.34 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.5 t90 -48.31 -48.47 35.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.0 t -46.44 -43.8 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.767 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.2 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.74 129.52 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -52.82 -39.71 62.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -35.22 76.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 67.9 m -66.76 -53.91 28.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 89.3 t -48.12 -35.57 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.867 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.1 t0 -80.19 -30.87 38.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -60.99 -27.04 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.06 -14.85 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 34' ' ' ASP . 14.2 mt -65.95 -47.67 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -45.29 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.1 m-85 -42.79 -48.47 5.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.595 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.28 60.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.3 m-85 -149.45 152.91 36.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.22 57.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.1 tt0 -50.43 -26.66 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -54.1 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.36 -33.72 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.4 -36.79 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HG2' HG21 ' A' ' 28' ' ' ILE . 4.6 mtt85 -82.41 -34.17 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.5 mtmt -65.3 -43.98 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -63.91 -42.04 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -74.61 -12.46 60.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.69 -35.47 15.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -97.42 21.0 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.4 p -142.79 -51.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.26 96.7 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.62 52.79 1.88 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -140.59 91.89 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.435 HD13 HD21 ' A' ' 50' ' ' LEU . 6.1 mm -61.75 -43.51 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -50.56 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -74.42 -43.3 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.702 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.03 -41.23 71.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 82.4 m -60.67 -36.66 79.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.9 t0 -76.57 -48.07 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 88.3 t90 -44.11 -50.52 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 60' ' ' ALA . 89.7 t -45.6 -48.83 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' A' ' 47' ' ' ARG . 95.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.66 135.85 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.69 -39.98 82.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -35.28 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 53.3 m -65.12 -53.97 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 72.9 t -46.18 -35.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.855 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.3 t0 -79.05 -36.19 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.572 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -54.95 -25.62 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 HD11 ' A' ' 50' ' ' LEU . 12.7 mt -95.66 -20.91 18.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 34' ' ' ASP . 18.8 mt -62.36 -42.21 99.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -44.94 63.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -45.2 -53.22 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.98 62.42 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 39.5 m-85 -149.21 156.01 41.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.35 137.98 51.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -47.69 -33.74 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.79 -54.09 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.47 -33.27 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.28 -37.21 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.561 ' HG2' HG21 ' A' ' 28' ' ' ILE . 10.4 mtt180 -82.28 -33.0 29.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.0 mtmm -66.67 -43.6 84.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.478 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . . . -65.72 -42.14 91.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 57' ' ' ILE . 17.1 mt -75.68 -12.03 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -80.95 -42.4 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -83.08 -38.98 21.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -75.27 -51.08 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.79 69.49 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 80.41 -51.15 4.15 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 70.4 m-20 -40.34 109.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.921 HD13 HD21 ' A' ' 50' ' ' LEU . 47.9 mm -67.27 -55.72 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 -52.29 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.59 -41.24 94.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.66 -35.51 81.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 58.0 m -65.03 -24.13 67.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.32 -47.58 7.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 84.5 t90 -43.88 -50.58 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 80.1 t -41.02 -52.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.2 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.1 m-20 -53.25 136.7 36.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.6 -46.47 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 57' ' ' ILE . 67.4 m -65.81 -51.69 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' ASP . 92.4 t -50.75 -35.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 37' ' ' LEU . 22.9 t70 -78.94 -31.07 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 52.1 m -62.17 -25.41 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.17 -16.03 24.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.903 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.6 mt -67.38 -44.61 78.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -46.06 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.3 m-85 -44.16 -49.98 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.23 51.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.9 m-85 -141.01 150.81 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 149.64 50.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.53 -29.92 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.67 -54.1 15.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.73 -38.78 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -32.42 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -86.55 -23.22 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.6 mtmt -79.53 -40.33 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -71.22 -35.31 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.613 HD22 ' HA2' ' A' ' 55' ' ' GLY . 70.9 mt -83.9 6.18 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.44 -39.07 17.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.464 ' HG ' ' HA ' ' A' ' 50' ' ' LEU . 52.1 p -65.04 -61.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.32 61.39 0.45 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.613 ' HA2' HD22 ' A' ' 50' ' ' LEU . . . 65.43 9.59 44.25 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.65 100.93 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' SER . 19.9 mm -60.0 -53.64 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -50.83 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -68.99 -43.8 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -51.44 -35.47 39.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 74.4 m -66.14 -24.2 66.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.49 -44.35 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.9 t90 -51.51 -48.87 62.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 60' ' ' ALA . 96.3 t -44.23 -43.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.558 HG22 ' CG2' ' A' ' 33' ' ' VAL . 7.3 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m-20 -47.66 138.18 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -71.64 -38.76 70.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -35.3 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -67.44 -50.84 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ASP . 59.1 t -50.29 -39.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 37' ' ' LEU . 8.7 t70 -77.0 -34.45 57.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 40.5 m -57.4 -27.97 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 60' ' ' ALA . 12.8 mt -90.4 -23.34 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 34' ' ' ASP . 36.2 mt -61.57 -48.35 81.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.62 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -39.32 -50.52 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.09 50.51 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -137.87 165.33 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 161.83 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' HA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -70.52 -29.89 66.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -53.94 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.27 -38.99 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.39 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.02 -26.09 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 12.7 mtmt -75.76 -41.22 53.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.21 -41.75 80.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD21 HD13 ' A' ' 57' ' ' ILE . 62.1 mt -81.3 2.98 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.04 -40.05 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.6 -39.06 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 p -66.36 -49.88 65.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.15 92.97 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.38 39.75 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -128.54 95.86 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 23.1 mm -60.37 -52.94 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.6 -43.37 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -81.18 -35.41 31.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.47 -40.73 92.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 61.9 m -64.46 -31.27 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.48 -43.3 19.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 72.8 t90 -51.11 -45.98 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 60' ' ' ALA . 92.1 t -48.84 -45.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-30 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' ' 47' ' ' ARG . 6.6 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.47 130.49 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -60.66 -34.32 74.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.5 ' HB3' HD11 ' A' ' 57' ' ' ILE . 57.6 m -63.77 -53.62 48.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 46' ' ' ALA . 73.6 t -46.8 -37.62 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.864 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.2 t0 -73.38 -36.8 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.7 m -58.07 -25.16 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 50' ' ' LEU . 12.5 mt -95.99 -19.41 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.864 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.9 mt -62.7 -39.49 94.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -46.2 34.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.7 m-85 -42.26 -51.16 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.68 59.37 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 33.3 m-85 -148.84 162.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.58 139.8 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.746 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -49.66 -35.01 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -54.1 38.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.07 -35.07 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.687 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.2 -31.95 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -87.28 -30.78 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.8 mtmm -68.92 -43.29 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.84 -42.1 81.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.873 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -75.85 -4.7 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.03 -39.28 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -88.07 -39.05 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -73.02 -56.91 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.18 69.37 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 79.5 -51.89 4.03 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' GLY . 69.6 m-20 -40.06 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.873 HD13 HD21 ' A' ' 50' ' ' LEU . 43.5 mm -69.59 -55.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.38 -43.75 11.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -69.42 -46.77 66.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.93 -41.47 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.1 m -59.1 -29.76 67.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -81.74 -50.43 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.0 t90 -44.39 -49.68 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 82.8 t -42.84 -50.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.86 124.68 23.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.99 -38.28 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -35.29 76.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 71.1 m -64.89 -50.69 65.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -50.22 -36.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.2 t70 -75.86 -31.81 59.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.0 m -62.95 -25.56 68.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -95.99 -15.09 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 34' ' ' ASP . 17.3 mt -65.53 -40.29 92.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -45.04 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 4.1 m-85 -42.09 -48.54 4.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.46 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.3 m-85 -147.22 158.42 43.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.46 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -48.02 -34.84 10.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.09 34.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -36.99 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.44 -33.27 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -85.37 -27.65 25.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmm -72.11 -42.61 65.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.55 -42.17 83.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 57' ' ' ILE . 10.8 mt -77.49 -6.94 55.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -88.82 -34.59 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.19 -37.03 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -82.57 -38.7 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 113.52 -96.98 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -126.85 -40.79 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.82 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.856 HD13 HD21 ' A' ' 50' ' ' LEU . 30.8 mm -50.17 -50.52 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -39.14 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -73.59 -41.96 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.63 -41.52 99.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 87.7 m -58.81 -29.58 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.96 -51.4 9.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 86.6 t90 -45.58 -49.22 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.5 t -41.84 -49.42 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.1 139.07 18.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -66.75 -47.75 71.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -35.35 48.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' THR . 41.3 m -65.96 -57.72 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 92.4 t -43.53 -38.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.839 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.7 t70 -76.19 -42.46 46.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 73.7 m -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD12 HD11 ' A' ' 50' ' ' LEU . 12.8 mt -90.65 -25.9 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.4 mt -60.75 -40.45 92.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -69.57 -45.21 69.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -46.84 -49.68 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.96 58.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 35.7 m-85 -144.96 164.26 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.47 159.38 30.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -31.19 71.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.49 -54.08 9.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.22 -36.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.61 -36.29 73.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mtt180 -82.54 -33.14 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.7 mtmm -66.02 -43.85 86.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.63 -41.64 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 57' ' ' ILE . 23.3 mt -76.13 -2.66 32.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.42 -39.4 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.13 -39.12 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 p -67.69 -60.54 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.8 62.48 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.8 -45.12 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.9 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.878 ' CD1' HD21 ' A' ' 50' ' ' LEU . 11.5 mm -71.4 -36.81 62.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -88.55 -28.47 20.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -73.33 -39.15 65.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 94.6 m -66.85 -30.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -82.89 -44.63 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 83.9 t90 -49.34 -50.52 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.2 t -43.98 -41.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.92 137.28 55.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -64.21 -35.47 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -35.23 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 60.5 m -64.07 -52.74 57.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG11 HH11 ' A' ' 47' ' ' ARG . 80.6 t -48.05 -36.64 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t0 -77.79 -34.01 52.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 94.4 m -56.9 -23.99 48.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.62 -18.23 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 34' ' ' ASP . 44.9 mt -68.5 -53.79 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.88 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -47.15 -47.21 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.79 55.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -138.22 156.44 47.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.57 144.92 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -59.66 -27.48 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -76.75 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 64' ' ' VAL . 2.8 t -54.37 -36.42 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.07 72.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HG11 ' A' ' 33' ' ' VAL . 8.7 mtt85 -84.3 -27.21 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmt -75.89 -40.61 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 60' ' ' ALA . . . -68.89 -42.04 77.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 60' ' ' ALA . 70.6 mt -78.08 -2.13 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -35.79 17.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -94.86 -34.48 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 59' ' ' LYS . 5.8 m -75.48 -55.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . . . 92.12 94.87 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.18 30.06 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 84.2 m-20 -118.48 76.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.6 mm -40.39 -54.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.1 -53.88 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 9.6 mttm -68.07 -37.41 81.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.82 -33.68 73.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.2 m -71.59 -11.8 61.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.0 -34.48 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.482 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 59.3 t90 -62.3 -35.34 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.005 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 60' ' ' ALA . 27.7 t -61.68 -58.36 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.7 m-30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 51' ' ' LYS . 88.3 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.72 125.82 27.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -50.42 -35.43 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' THR . 46.6 m -65.32 -53.81 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 46' ' ' ALA . 69.6 t -48.79 -35.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 9.3 t0 -76.64 -31.52 57.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 98.8 m -63.22 -24.01 67.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 50' ' ' LEU . 11.3 mt -96.09 -16.17 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 20.1 mt -64.93 -44.79 88.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -47.8 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.96 -48.57 2.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.3 55.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 23.6 m-85 -148.44 156.91 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.04 146.26 41.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.626 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -53.1 -33.38 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -66.43 -54.24 26.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.04 -34.87 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.34 -34.27 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -84.5 -33.09 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 16.5 mtmt -65.34 -44.36 88.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.17 -42.19 84.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 36' ' ' LEU . 20.1 mt -77.48 -8.22 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -88.47 -37.81 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.93 -36.32 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -85.88 -44.39 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 119.29 -94.66 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -127.15 -40.62 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.74 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 35' ' ' THR . 3.4 mm -51.41 -49.73 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.83 -35.88 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.51 -45.88 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.77 -32.88 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 98.0 m -62.96 -33.27 75.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.2 t0 -79.64 -47.13 15.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 77.7 t90 -44.43 -51.07 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.4 t -44.8 -47.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.662 HG21 ' HG2' ' A' ' 47' ' ' ARG . 78.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.26 130.26 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -52.4 -41.94 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -35.33 75.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' THR . 58.3 m -66.97 -53.13 34.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 47' ' ' ARG . 77.2 t -44.8 -38.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.2 t70 -78.29 -36.26 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.7 m -52.7 -26.48 14.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 HD11 ' A' ' 50' ' ' LEU . 5.2 mt -93.49 -22.85 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.1 mt -62.48 -51.12 68.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 m -61.12 -47.76 84.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -44.33 -52.91 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.13 58.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.2 m-85 -147.45 155.65 42.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.36 49.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 -34.93 10.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -54.06 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.23 -36.7 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -56.97 -34.34 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HG2' HG21 ' A' ' 28' ' ' ILE . 19.5 mtt180 -84.61 -42.64 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 18.5 mtpt -51.72 -49.76 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -63.07 -41.95 99.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 46' ' ' ALA . 31.6 mt -72.36 -10.8 60.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -86.7 -45.49 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -81.74 -27.27 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 p -88.69 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.82 85.09 0.62 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.8 -57.65 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.22 120.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mm -87.29 -48.56 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.51 -34.79 18.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -41.23 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.534 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -58.93 -46.02 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.603 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 m -56.41 -37.27 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' PHE . 49.4 t0 -76.82 -49.17 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 61.1 t90 -42.79 -54.69 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' ALA . 66.4 t -40.85 -42.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CG2' ' A' ' 33' ' ' VAL . 5.2 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 m-20 -42.22 149.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -81.87 -35.71 29.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -35.34 79.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.949 ' OG ' HD13 ' A' ' 50' ' ' LEU . 51.4 p -64.85 -50.64 65.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.0 t -51.58 -35.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.857 ' HA ' HD12 ' A' ' 37' ' ' LEU . 23.6 t0 -80.38 -34.07 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 75.4 m -58.23 -26.36 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 50' ' ' LEU . 1.8 mt -96.07 -16.01 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 34' ' ' ASP . 15.5 mt -66.83 -43.12 84.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -48.84 39.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.24 -54.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.2 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.649 ' CD1' HG11 ' A' ' 64' ' ' VAL . 40.2 m-85 -144.9 157.4 44.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.29 148.87 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.62 -25.04 59.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -76.25 -54.15 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.78 -38.01 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.47 -35.47 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.39 -25.02 31.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.2 mtmm -77.22 -41.05 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -70.14 -40.29 74.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.949 HD13 ' OG ' ' A' ' 32' ' ' SER . 19.8 mt -80.9 0.56 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -41.11 10.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.23 -39.11 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.7 p -67.59 -46.38 72.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.48 91.43 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.64 42.6 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ALA . 71.3 m-20 -133.1 93.95 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.749 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mm -59.74 -51.41 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.87 -39.89 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -86.81 -31.65 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.6 -34.13 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 96.7 m -70.21 -25.01 63.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' PHE . 18.9 t70 -89.61 -41.99 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 57.5 t90 -51.8 -35.46 44.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 60' ' ' ALA . 94.3 t -60.09 -28.64 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.9 m-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.3 m-20 -46.59 135.56 8.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -72.73 -36.88 67.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -35.1 76.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.544 ' HB2' HD13 ' A' ' 50' ' ' LEU . 19.7 m -68.46 -49.0 63.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 29' ' ' ASP . 21.5 t -51.82 -38.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.851 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.3 t0 -74.5 -34.94 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.6 m -58.46 -25.16 61.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 60' ' ' ALA . 9.9 mt -95.79 -16.7 21.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.4 mt -67.54 -50.56 58.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -62.33 -48.62 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -42.23 -50.46 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 55.55 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' HG11 ' A' ' 64' ' ' VAL . 28.5 m-85 -141.85 152.15 43.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 150.72 45.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -61.84 -28.17 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.71 -54.02 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.5 -37.54 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.94 72.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 7.0 mtt-85 -84.69 -23.68 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.5 mtmm -79.17 -40.34 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.8 -37.44 79.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 32' ' ' SER . 34.5 mt -84.77 3.4 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.68 -42.86 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.95 -38.96 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.3 p -66.21 -48.77 69.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.12 89.4 0.79 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 40.07 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ALA . 77.1 m-20 -130.49 94.15 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.531 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 7.3 mm -59.58 -50.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -37.7 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -31.11 21.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -65.58 -42.18 92.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.593 HG22 ' CE2' ' A' ' 65' ' ' PHE . 94.0 m -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 65' ' ' PHE . 24.5 t70 -79.83 -42.48 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 78.4 t90 -51.09 -40.98 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 60' ' ' ALA . 46.1 t -61.53 -31.78 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE2' HG22 ' A' ' 61' ' ' THR . 1.9 m-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.4 m-20 -60.01 143.49 51.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -71.77 -47.16 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -35.33 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -68.1 -52.05 39.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' ASP . 98.5 t -49.08 -38.4 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 14.4 t70 -74.83 -37.42 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.525 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 78.5 m -55.36 -24.56 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD12 HD11 ' A' ' 50' ' ' LEU . 14.4 mt -94.88 -20.93 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.3 mt -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -49.42 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -38.83 -55.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.76 54.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 64' ' ' VAL . 31.3 m-85 -143.96 167.42 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.36 164.04 22.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -70.41 -30.24 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.04 -53.94 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.12 -37.68 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.96 -31.36 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -88.28 -24.68 23.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.7 mtmt -77.2 -41.06 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 57' ' ' ILE . 22.5 mt -83.23 5.43 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -36.79 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.43 -38.99 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 p -67.5 -57.57 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.82 80.17 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.85 -57.09 1.76 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.46 125.37 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.698 HD13 HD21 ' A' ' 50' ' ' LEU . 18.6 mm -84.02 -55.53 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.33 -38.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -75.7 -40.83 55.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.85 -40.85 96.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.8 m -61.6 -35.06 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.9 -42.6 48.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 69.1 t90 -53.38 -51.02 63.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 108.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 77.5 t -41.0 -47.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.5 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 47' ' ' ARG . 6.7 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.8 127.9 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -50.31 -41.89 51.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -35.34 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 70.0 m -65.87 -55.37 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 46' ' ' ALA . 65.6 t -45.79 -33.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 43.8 t0 -76.52 -39.96 51.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.551 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 23.6 m -52.89 -28.69 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' HD12 ' A' ' 57' ' ' ILE . 7.1 mt -90.79 -26.5 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.3 mt -57.88 -49.47 76.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -64.51 -49.98 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -38.99 -51.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.83 57.19 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 26.1 m-85 -148.54 163.6 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.95 154.98 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.9 tt0 -62.06 -32.07 72.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.47 -54.15 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.7 -36.63 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' HG13 ' A' ' 33' ' ' VAL . . . -58.59 -37.54 76.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' CG ' HG21 ' A' ' 28' ' ' ILE . 2.2 ttt180 -80.37 -25.9 38.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.8 mtmt -76.72 -40.92 47.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -66.49 -41.99 88.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 57' ' ' ILE . 18.5 mt -75.25 -18.52 60.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -50.18 54.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -79.14 -37.02 39.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.5 m -94.12 93.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.0 94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.73 52.95 1.94 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -130.36 98.86 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 50' ' ' LEU . 11.7 mm -61.0 -46.95 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -40.52 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -82.64 -36.52 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.72 -42.73 99.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 55.5 m -57.92 -30.97 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 33.6 t70 -83.27 -46.28 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 53.2 t90 -46.09 -32.3 2.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 60' ' ' ALA . 73.8 t -67.69 -45.67 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.505 HG21 ' HG2' ' A' ' 47' ' ' ARG . 5.6 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . 7.9 m-20 -45.82 145.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -83.24 -22.59 33.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.59 60.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.471 ' CA ' HD11 ' A' ' 57' ' ' ILE . 72.3 m -69.01 -54.24 16.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' HG3' ' A' ' 47' ' ' ARG . 70.9 t -47.26 -37.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.3 t70 -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.9 m -59.56 -24.22 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.77 -16.69 21.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.9 mt -67.19 -43.67 81.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -48.09 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -41.46 -54.92 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.84 51.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 36.9 m-85 -140.66 155.15 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.76 150.6 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.5 tt0 -57.53 -33.4 68.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -66.0 -53.06 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -67.17 -34.99 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.76 58.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.1 mtt180 -87.77 -43.29 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CH2' ' A' ' 63' ' ' TRP . 17.2 mtpt -52.62 -49.32 65.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -64.18 -32.81 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 28' ' ' ILE . 68.3 mt -86.76 3.07 46.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -96.89 -43.05 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.9 -39.08 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -69.8 -42.98 73.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 91.23 0.8 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.86 50.85 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 80.1 m-20 -139.02 108.29 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.471 HD11 ' CA ' ' A' ' 32' ' ' SER . 20.5 mm -68.12 -51.97 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.79 -43.83 58.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 2.7 mttt -74.47 -48.99 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.17 -45.55 68.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.601 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.9 m -55.14 -22.3 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' PHE . 56.8 t0 -88.28 -49.74 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.437 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 45.0 t90 -45.01 -49.55 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.9 t -44.13 -39.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.828 HG21 ' HG2' ' A' ' 47' ' ' ARG . 7.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.11 130.95 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -53.14 -47.0 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -35.36 67.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 m -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 87.2 t -45.16 -38.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.826 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.0 t0 -77.37 -41.16 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 55.4 m -48.75 -29.37 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -91.09 -25.84 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 34' ' ' ASP . 29.2 mt -60.32 -44.71 95.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.5 m-85 -44.21 -50.02 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.52 59.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 29.7 m-85 -146.96 167.79 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.92 161.08 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -67.93 -31.45 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.6 -54.04 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.41 -35.66 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.623 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.03 -34.04 71.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.828 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.8 mtt-85 -85.8 -35.85 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.4 mtmm -61.77 -45.35 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 57' ' ' ILE . 16.0 mt -75.54 -8.13 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -85.08 -41.16 16.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.84 -39.0 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.8 p -77.57 -53.79 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 90.34 1.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 68.96 -59.12 0.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' GLY . 66.0 m-20 -40.26 116.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.899 HD13 HD21 ' A' ' 50' ' ' LEU . 21.2 mm -79.88 -51.29 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.73 -36.65 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -78.37 -34.03 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -68.31 -42.15 79.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 86.0 m -59.77 -24.72 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.35 -50.35 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 75.0 t90 -46.34 -41.98 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.4 t -51.53 -53.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 HG22 ' CG2' ' A' ' 33' ' ' VAL . 8.6 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.44 132.85 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -64.08 -38.37 90.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -35.24 77.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.46 -53.74 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG2' HG22 ' A' ' 28' ' ' ILE . 64.9 t -46.5 -38.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.7 t0 -78.64 -38.48 39.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 m -50.92 -29.73 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 50' ' ' LEU . 5.6 mt -90.57 -24.04 20.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 31.0 mt -62.6 -39.62 94.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -41.39 74.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -51.92 -48.12 64.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.07 57.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 34.4 m-85 -144.27 157.99 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.29 -31.58 70.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -70.51 -53.62 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.58 -37.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -88.41 -25.76 22.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 20.1 mtmt -75.13 -41.69 57.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.32 -41.94 84.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 46' ' ' ALA . 22.3 mt -74.6 -25.67 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -49.79 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.81 -33.07 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 m -97.33 95.63 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.63 94.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.69 35.76 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -110.15 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 3.8 mm -57.46 -48.81 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -37.31 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -86.2 -29.95 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -67.62 -40.02 84.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 23.8 m -68.01 -21.47 65.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.92 -49.28 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 73.4 t90 -43.83 -51.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 60' ' ' ALA . 90.7 t -41.79 -46.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.5 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -58.76 148.9 27.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -74.56 -45.73 43.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.3 71.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.41 ' HB2' HD13 ' A' ' 50' ' ' LEU . 34.0 m -65.34 -53.41 44.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG11 HH11 ' A' ' 47' ' ' ARG . 87.5 t -49.63 -34.91 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.869 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t70 -78.1 -32.59 50.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.2 m -59.64 -24.97 64.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -95.96 -15.38 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.8 mt -68.48 -41.19 80.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -50.51 16.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -39.69 -55.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 143.58 54.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 64' ' ' VAL . 29.8 m-85 -146.9 148.96 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.77 151.75 46.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -53.98 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.16 -34.56 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.578 HH11 HG11 ' A' ' 33' ' ' VAL . 9.5 mtt85 -79.51 -20.76 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.5 mtmm -81.4 -40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -70.26 -39.14 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 36' ' ' LEU . 21.1 mt -83.84 1.76 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.88 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.94 -38.92 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.1 p -69.5 -47.5 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.943 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 85.35 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.9 -58.89 0.76 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.1 m-20 -40.62 123.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 50' ' ' LEU . 4.8 mm -86.4 -51.96 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.11 -35.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -42.17 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -58.18 -39.76 79.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.2 m -61.95 -31.67 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.14 -42.74 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 62.6 t90 -50.6 -49.66 55.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 60' ' ' ALA . 91.9 t -44.74 -32.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -177.91 164.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.8 169.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.25 -177.03 37.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t 177.99 149.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.725 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 p 179.39 155.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.98 137.78 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.23 131.85 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.83 75.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 m 40.6 84.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 3.4 t-80 -129.34 85.54 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.94 91.63 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.6 -61.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 152.34 17.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -12.69 21.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -149.06 96.2 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 17' ' ' ILE . 84.4 mt -94.58 60.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 18' ' ' ASP . 18.4 t70 175.8 60.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.21 90.13 0.73 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 53.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.0 mt -142.1 117.35 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.66 133.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.22 138.32 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.99 161.7 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 m 63.72 142.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.6 m -56.21 174.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.53 -19.85 11.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 51' ' ' LYS . 11.4 mt -64.87 101.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.26 137.5 58.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -64.66 -39.74 94.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -35.19 74.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' THR . 49.4 m -63.31 -55.19 26.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -45.86 -33.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.3 t0 -76.06 -39.92 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 57.1 m -51.48 -27.3 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.728 HD12 HD11 ' A' ' 50' ' ' LEU . 6.0 mt -93.81 -23.59 18.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.0 mt -60.93 -40.2 92.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.7 m -72.2 -45.83 58.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -45.44 -52.92 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 137.81 61.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 32.3 m-85 -150.2 157.91 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 133.88 40.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.4 tt0 -45.08 -34.63 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.65 -54.15 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -64.53 -33.45 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.84 -34.42 69.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -84.41 -32.97 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.8 mtmt -66.4 -43.83 84.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.78 -41.85 82.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD21 HD13 ' A' ' 57' ' ' ILE . 22.7 mt -76.08 -10.67 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -81.71 -42.87 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -84.36 -38.87 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 m -73.68 -54.46 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.54 73.35 1.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 77.02 -54.43 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.5 m-20 -40.42 111.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.877 HD13 HD21 ' A' ' 50' ' ' LEU . 42.5 mm -71.18 -54.99 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.51 -35.94 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -79.54 -39.22 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.53 -46.02 84.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 85.1 m -56.94 -31.11 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.44 -47.7 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.4 t90 -43.79 -47.67 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 60' ' ' ALA . 99.3 t -48.43 -49.67 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -74.21 -53.84 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 51.6 m-20 -40.39 -53.33 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.544 ' OD1' ' CE2' ' A' ' 63' ' ' TRP . 3.7 p30 -142.21 147.08 35.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 158.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.45 158.14 22.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.59 26.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.39 174.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -153.22 86.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -173.87 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.07 166.3 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.12 130.35 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.92 159.62 15.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.93 121.25 3.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.75 -136.28 5.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.27 135.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.96 146.7 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t 62.0 121.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.24 174.87 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.11 149.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.56 -54.24 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 66.31 132.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -13.69 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ILE . 24.9 t0 -170.16 57.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' ASP . 9.6 mm 60.24 116.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -114.87 75.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.37 155.91 39.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 53.81 3.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.8 mt 62.44 135.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t 62.89 148.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.26 145.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -47.66 112.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -105.04 147.32 27.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -96.17 138.77 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.35 -19.47 61.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 mt -59.1 103.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.89 136.57 57.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.15 -34.04 77.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -35.33 80.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 50' ' ' LEU . 13.5 m -67.45 -54.72 17.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 78.7 t -45.44 -36.0 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.85 ' HA ' HD12 ' A' ' 37' ' ' LEU . 13.1 t70 -77.79 -41.67 36.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 67.7 m -48.93 -26.77 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 50' ' ' LEU . 4.5 mt -93.77 -25.93 17.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.6 mt -58.3 -46.8 85.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -66.13 -48.03 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -43.67 -55.05 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 140.11 61.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 35.5 m-85 -149.92 154.09 37.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.46 149.25 49.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -58.38 -30.9 67.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.22 -54.01 14.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.4 -35.35 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.19 -36.27 75.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 2.3 mtt180 -82.59 -25.51 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.7 mtmt -76.43 -41.04 48.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -68.2 -37.81 81.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.845 HD21 HD13 ' A' ' 57' ' ' ILE . 29.9 mt -83.94 -1.19 54.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -86.88 -35.23 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 -38.97 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.7 p -70.0 -48.96 56.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.21 86.08 0.82 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.95 -59.86 0.76 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 79.0 m-20 -40.5 122.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.845 HD13 HD21 ' A' ' 50' ' ' LEU . 19.3 mm -84.59 -52.51 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.0 -40.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -76.75 -42.34 41.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -57.37 -43.13 83.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 55.3 m -60.8 -33.3 72.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' CG ' ' ND2' ' A' ' 66' ' ' ASN . 41.2 t0 -78.17 -45.34 23.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.5 t90 -48.31 -48.47 35.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.0 t -46.44 -43.8 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 -80.91 -56.81 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 12.9 m-20 -41.42 -50.97 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.85 123.75 26.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.3 p -150.99 125.66 9.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.01 -145.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.75 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.16 79.65 7.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.1 p -40.88 -61.31 0.99 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.89 -58.5 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.55 95.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.46 95.34 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -128.96 88.26 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.961 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -162.33 148.1 12.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . 163.75 117.79 0.42 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -177.68 158.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER 68.5 126.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -68.84 135.2 50.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -124.8 108.85 12.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.3 ptm -122.58 157.48 32.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.45 140.29 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.19 143.91 27.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -136.16 92.29 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.8 mt -118.51 -138.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' H ' HG22 ' A' ' 17' ' ' ILE . 19.2 t70 47.09 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.59 157.5 1.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.79 3.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.47 120.22 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.1 t -162.05 146.7 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -125.0 174.64 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.628 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.85 111.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -110.73 161.46 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.1 p -85.06 155.63 21.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.86 -19.11 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.767 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.2 mt -61.43 105.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.74 129.52 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -52.82 -39.71 62.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -35.22 76.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 67.9 m -66.76 -53.91 28.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 89.3 t -48.12 -35.57 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.867 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.1 t0 -80.19 -30.87 38.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.578 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -60.99 -27.04 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.06 -14.85 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 34' ' ' ASP . 14.2 mt -65.95 -47.67 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -45.29 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.1 m-85 -42.79 -48.47 5.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.595 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.28 60.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.3 m-85 -149.45 152.91 36.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.22 57.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.1 tt0 -50.43 -26.66 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -54.1 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.36 -33.72 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.4 -36.79 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HG2' HG21 ' A' ' 28' ' ' ILE . 4.6 mtt85 -82.41 -34.17 28.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.5 mtmt -65.3 -43.98 89.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -63.91 -42.04 97.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -74.61 -12.46 60.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.69 -35.47 15.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -97.42 21.0 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.4 p -142.79 -51.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.26 96.7 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.62 52.79 1.88 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -140.59 91.89 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.435 HD13 HD21 ' A' ' 50' ' ' LEU . 6.1 mm -61.75 -43.51 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -50.56 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -74.42 -43.3 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.702 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.03 -41.23 71.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.595 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 82.4 m -60.67 -36.66 79.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.9 t0 -76.57 -48.07 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 88.3 t90 -44.11 -50.52 8.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 60' ' ' ALA . 89.7 t -45.6 -48.83 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 -74.92 -55.7 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -40.41 -57.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -156.37 146.48 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -164.0 131.5 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.71 157.31 22.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.86 4.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.17 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -113.63 121.53 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -94.85 -58.51 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 0.723 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 -58.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.82 70.62 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -156.56 167.36 30.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m -39.44 151.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.0 -58.95 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.06 162.03 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.58 128.96 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.03 171.1 8.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.79 117.94 3.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -179.66 169.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -40.85 147.17 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.5 145.77 30.88 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.2 Cg_endo -75.02 55.83 4.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 160.08 91.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.8 mt -123.88 -138.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.479 ' H ' HG22 ' A' ' 17' ' ' ILE . 12.5 p-10 -104.78 71.24 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.68 91.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' C ' HD13 ' A' ' 21' ' ' ILE . 18.2 Cg_endo -74.99 53.76 3.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 22' ' ' SER . 1.3 mm -117.31 -150.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.564 ' H ' HG22 ' A' ' 21' ' ' ILE . 1.1 t -108.53 -52.31 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -59.9 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.546 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -89.38 79.95 6.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -132.86 164.25 27.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.4 p -101.36 169.89 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.947 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.54 23.02 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' A' ' 47' ' ' ARG . 95.4 mt -78.19 107.22 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.66 135.85 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.69 -39.98 82.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -35.28 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 53.3 m -65.12 -53.97 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 72.9 t -46.18 -35.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.855 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.3 t0 -79.05 -36.19 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.572 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 81.8 m -54.95 -25.62 30.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 HD11 ' A' ' 50' ' ' LEU . 12.7 mt -95.66 -20.91 18.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 34' ' ' ASP . 18.8 mt -62.36 -42.21 99.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -44.94 63.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -45.2 -53.22 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.98 62.42 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 39.5 m-85 -149.21 156.01 41.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.35 137.98 51.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.571 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -47.69 -33.74 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.79 -54.09 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.47 -33.27 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.28 -37.21 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.561 ' HG2' HG21 ' A' ' 28' ' ' ILE . 10.4 mtt180 -82.28 -33.0 29.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.0 mtmm -66.67 -43.6 84.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . . . -65.72 -42.14 91.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 57' ' ' ILE . 17.1 mt -75.68 -12.03 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -80.95 -42.4 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -83.08 -38.98 21.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -75.27 -51.08 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.79 69.49 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 80.41 -51.15 4.15 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 70.4 m-20 -40.34 109.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.921 HD13 HD21 ' A' ' 50' ' ' LEU . 47.9 mm -67.27 -55.72 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 -52.29 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -60.59 -41.24 94.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.66 -35.51 81.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 58.0 m -65.03 -24.13 67.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.32 -47.58 7.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 84.5 t90 -43.88 -50.58 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 80.1 t -41.02 -52.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.2 m-85 -78.75 -58.96 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.55 88.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.87 105.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 p -132.34 127.44 35.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.0 -149.55 25.78 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.4 4.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p 46.88 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.67 126.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 p -150.76 -58.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.029 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -163.77 155.99 17.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.14 -149.79 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.72 155.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.38 -166.45 20.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.1 tp -158.9 -115.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 10' ' ' SER . 0.3 OUTLIER 73.63 -172.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.563 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.1 m -69.33 138.32 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.22 107.83 19.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.54 165.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -141.71 148.99 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.601 ' HB2' HD11 ' A' ' 17' ' ' ILE . 0.4 OUTLIER 62.51 158.14 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.59 124.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.601 HD11 ' HB2' ' A' ' 14' ' ' ASP . 1.9 mt -123.02 -138.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.478 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.9 OUTLIER 177.84 40.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.44 91.22 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 53.74 3.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt 62.46 134.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.47 87.42 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.37 69.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 42.99 72.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -134.2 153.52 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.39 99.22 6.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.98 21.42 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 mt -42.03 106.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.1 m-20 -53.25 136.7 36.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -69.6 -46.47 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 57' ' ' ILE . 67.4 m -65.81 -51.69 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' ASP . 92.4 t -50.75 -35.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 37' ' ' LEU . 22.9 t70 -78.94 -31.07 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 52.1 m -62.17 -25.41 67.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.17 -16.03 24.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.903 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.6 mt -67.38 -44.61 78.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -46.06 68.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.3 m-85 -44.16 -49.98 8.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.23 51.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.9 m-85 -141.01 150.81 43.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 149.64 50.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.53 -29.92 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.67 -54.1 15.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -58.73 -38.78 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.56 -32.42 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -86.55 -23.22 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.6 mtmt -79.53 -40.33 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -71.22 -35.31 71.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.613 HD22 ' HA2' ' A' ' 55' ' ' GLY . 70.9 mt -83.9 6.18 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.13 -44.93 6.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.44 -39.07 17.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.464 ' HG ' ' HA ' ' A' ' 50' ' ' LEU . 52.1 p -65.04 -61.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.32 61.39 0.45 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.613 ' HA2' HD22 ' A' ' 50' ' ' LEU . . . 65.43 9.59 44.25 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -90.65 100.93 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 32' ' ' SER . 19.9 mm -60.0 -53.64 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.65 -50.83 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -68.99 -43.8 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -51.44 -35.47 39.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 74.4 m -66.14 -24.2 66.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -86.49 -44.35 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 76.9 t90 -51.51 -48.87 62.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 60' ' ' ALA . 96.3 t -44.23 -43.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -83.62 -59.06 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.938 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -40.56 -46.09 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.78 100.19 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 m 58.98 110.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.52 -155.8 14.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.92 38.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.99 130.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 104.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 179.47 150.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.65 170.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.09 -178.49 19.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.2 154.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.58 161.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.81 130.76 2.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -160.04 134.72 7.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 8' ' ' LEU . 1.6 mm? -128.81 150.22 50.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.75 121.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.7 155.83 0.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -165.89 111.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -149.19 137.96 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -145.32 132.67 10.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.52 21.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -173.4 41.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 41.5 mt 65.83 126.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 17' ' ' ILE . 1.2 m-20 -167.24 87.58 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.39 160.93 5.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 53.87 3.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 22' ' ' SER . 0.7 OUTLIER -127.77 -150.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.571 ' H ' HG22 ' A' ' 21' ' ' ILE . 29.5 t 60.32 95.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 75.41 -69.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.62 166.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -147.8 143.08 27.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.01 109.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -52.44 -21.69 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.558 HG22 ' CG2' ' A' ' 33' ' ' VAL . 7.3 mt -61.18 102.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m-20 -47.66 138.18 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -71.64 -38.76 70.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -35.3 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -67.44 -50.84 57.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ASP . 59.1 t -50.29 -39.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 37' ' ' LEU . 8.7 t70 -77.0 -34.45 57.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 40.5 m -57.4 -27.97 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 60' ' ' ALA . 12.8 mt -90.4 -23.34 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 34' ' ' ASP . 36.2 mt -61.57 -48.35 81.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.62 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -39.32 -50.52 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.09 50.51 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -137.87 165.33 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 161.83 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' HA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -70.52 -29.89 66.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -53.94 9.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.27 -38.99 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.39 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.02 -26.09 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 12.7 mtmt -75.76 -41.22 53.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.21 -41.75 80.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD21 HD13 ' A' ' 57' ' ' ILE . 62.1 mt -81.3 2.98 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.04 -40.05 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.6 -39.06 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.1 p -66.36 -49.88 65.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.15 92.97 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.38 39.75 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -128.54 95.86 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 23.1 mm -60.37 -52.94 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -44.6 -43.37 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -81.18 -35.41 31.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.47 -40.73 92.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 61.9 m -64.46 -31.27 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.48 -43.3 19.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 72.8 t90 -51.11 -45.98 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 60' ' ' ALA . 92.1 t -48.84 -45.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-30 -78.34 -55.58 5.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 17.1 m-20 -40.36 -45.31 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -157.08 154.99 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m 52.86 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.34 158.29 24.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.17 5.94 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 m 62.92 135.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -58.98 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.077 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 122.25 24.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.25 152.0 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.73 178.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -57.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 110.041 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -100.64 -58.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.06 -118.3 4.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.42 116.57 31.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.69 162.27 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 169.76 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -74.25 168.84 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.663 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.3 ttt -178.6 136.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' HD12 ' A' ' 21' ' ' ILE . 72.4 m-20 -121.51 -54.59 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . 2.0 p30 -58.82 131.87 86.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.12 21.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -168.76 45.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.3 mt 61.54 122.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' OD1' ' CB ' ' A' ' 14' ' ' ASP . 10.0 p-10 177.67 59.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.844 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . 55.03 177.89 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.844 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.01 -160.73 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' ASP . 21.8 mt -141.46 116.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t 60.42 98.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 49.3 p-80 -140.8 100.87 3.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.68 147.09 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.5 m 59.55 151.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -81.32 99.08 8.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.48 -19.51 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' ' 47' ' ' ARG . 6.6 mt -63.54 97.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.47 130.49 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -60.66 -34.32 74.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.29 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.5 ' HB3' HD11 ' A' ' 57' ' ' ILE . 57.6 m -63.77 -53.62 48.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 46' ' ' ALA . 73.6 t -46.8 -37.62 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.864 ' HA ' HD12 ' A' ' 37' ' ' LEU . 63.2 t0 -73.38 -36.8 66.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.7 m -58.07 -25.16 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 50' ' ' LEU . 12.5 mt -95.99 -19.41 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.864 HD12 ' HA ' ' A' ' 34' ' ' ASP . 19.9 mt -62.7 -39.49 94.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -46.2 34.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.7 m-85 -42.26 -51.16 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.68 59.37 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 33.3 m-85 -148.84 162.63 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.58 139.8 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.746 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -49.66 -35.01 20.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -54.1 38.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.07 -35.07 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.687 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.2 -31.95 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -87.28 -30.78 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.8 mtmm -68.92 -43.29 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.84 -42.1 81.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.873 HD21 HD13 ' A' ' 57' ' ' ILE . 15.4 mt -75.85 -4.7 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.03 -39.28 14.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -88.07 -39.05 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -73.02 -56.91 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.18 69.37 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 79.5 -51.89 4.03 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' GLY . 69.6 m-20 -40.06 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.873 HD13 HD21 ' A' ' 50' ' ' LEU . 43.5 mm -69.59 -55.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.38 -43.75 11.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -69.42 -46.77 66.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -55.93 -41.47 74.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.584 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.1 m -59.1 -29.76 67.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.373 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' CG ' ' ND2' ' A' ' 66' ' ' ASN . 28.9 t0 -81.74 -50.43 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 81.0 t90 -44.39 -49.68 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 60' ' ' ALA . 82.8 t -42.84 -50.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.6 m-85 -78.14 -56.27 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 1.3 m-80 -42.86 -51.67 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -128.42 99.62 5.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.13 17.78 20.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.91 158.01 30.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.06 32.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.38 160.17 26.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.0 p -121.67 94.03 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.37 156.17 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -168.14 170.35 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.0 178.56 34.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 p -153.55 166.22 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -151.46 142.93 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.16 103.45 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -89.27 -159.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER 57.97 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.1 p -154.96 139.07 16.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 69.29 167.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.23 131.85 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.9 p30 179.86 163.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' CG ' HD11 ' A' ' 17' ' ' ILE . 5.9 m-20 -96.5 132.62 26.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.79 109.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 17' ' ' ILE . 17.4 mm -90.57 59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 177.5 94.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -176.01 154.64 1.45 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.84 3.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.4 mt 62.49 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.23 157.0 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -87.22 68.31 9.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 172.15 73.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -156.49 149.27 23.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -102.07 173.88 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.57 -18.6 35.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.71 106.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.86 124.68 23.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -54.99 -38.28 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -35.29 76.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' HD11 ' A' ' 57' ' ' ILE . 71.1 m -64.89 -50.69 65.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 46' ' ' ALA . 75.1 t -50.22 -36.46 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' A' ' 37' ' ' LEU . 29.2 t70 -75.86 -31.81 59.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.0 m -62.95 -25.56 68.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -95.99 -15.09 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 34' ' ' ASP . 17.3 mt -65.53 -40.29 92.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -45.04 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 4.1 m-85 -42.09 -48.54 4.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.46 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 26.3 m-85 -147.22 158.42 43.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.004 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.46 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.7 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.6 tt0 -48.02 -34.84 10.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.09 34.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -36.99 73.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.44 -33.27 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -85.37 -27.65 25.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmm -72.11 -42.61 65.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.55 -42.17 83.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 57' ' ' ILE . 10.8 mt -77.49 -6.94 55.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -88.82 -34.59 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.19 -37.03 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -82.57 -38.7 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 113.52 -96.98 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -126.85 -40.79 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.82 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.856 HD13 HD21 ' A' ' 50' ' ' LEU . 30.8 mm -50.17 -50.52 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -39.14 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -73.59 -41.96 62.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.63 -41.52 99.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 87.7 m -58.81 -29.58 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.96 -51.4 9.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 86.6 t90 -45.58 -49.22 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.5 t -41.84 -49.42 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.3 m-85 -82.01 -58.62 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -68.87 93.31 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 68.28 121.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.9 t -118.87 159.84 23.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.053 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.65 162.99 19.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.53 42.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.71 95.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -177.86 121.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.62 169.76 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.59 -58.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.36 -164.27 12.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.63 102.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -166.21 157.54 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.38 -165.18 30.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.39 130.35 17.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.783 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.71 140.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.22 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -125.82 167.24 15.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.564 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.51 62.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 59.54 163.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.41 134.07 52.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.86 21.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ILE . 19.0 m-20 -174.11 68.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 20' ' ' PRO . 81.0 mt 61.33 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.673 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 2.4 p30 -79.7 61.91 3.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 18' ' ' ASP . . . 82.04 92.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.828 ' O ' HD13 ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 53.81 3.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.828 HD13 ' O ' ' A' ' 20' ' ' PRO . 1.3 mm -129.79 -150.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.572 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -163.57 138.29 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.63 70.06 9.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -150.35 133.69 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.1 t -98.74 137.24 37.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.521 ' OG ' HD12 ' A' ' 28' ' ' ILE . 4.9 t 63.54 144.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -19.13 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.521 HD12 ' OG ' ' A' ' 26' ' ' SER . 7.7 mt -62.18 103.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.1 139.07 18.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -66.75 -47.75 71.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -35.35 48.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' THR . 41.3 m -65.96 -57.72 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 92.4 t -43.53 -38.06 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.839 ' HA ' HD12 ' A' ' 37' ' ' LEU . 1.7 t70 -76.19 -42.46 46.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 73.7 m -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD12 HD11 ' A' ' 50' ' ' LEU . 12.8 mt -90.65 -25.9 19.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.4 mt -60.75 -40.45 92.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -69.57 -45.21 69.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -46.84 -49.68 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.96 58.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 35.7 m-85 -144.96 164.26 31.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.47 159.38 30.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.22 -31.19 71.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.49 -54.08 9.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.22 -36.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.61 -36.29 73.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 7.6 mtt180 -82.54 -33.14 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 5.7 mtmm -66.02 -43.85 86.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.63 -41.64 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 57' ' ' ILE . 23.3 mt -76.13 -2.66 32.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.42 -39.4 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.13 -39.12 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 p -67.69 -60.54 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.8 62.48 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.8 -45.12 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.9 109.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.878 ' CD1' HD21 ' A' ' 50' ' ' LEU . 11.5 mm -71.4 -36.81 62.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -31.91 66.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -88.55 -28.47 20.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -73.33 -39.15 65.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 94.6 m -66.85 -30.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' OD2' ' ND2' ' A' ' 66' ' ' ASN . 25.3 t0 -82.89 -44.63 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 83.9 t90 -49.34 -50.52 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.2 t -43.98 -41.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 -83.85 -57.92 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 62' ' ' ASP . 56.7 m-20 -42.45 -49.63 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.49 136.58 34.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 m -163.22 138.52 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.67 -145.42 3.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 79.03 2.77 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.47 147.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -161.28 152.87 19.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.96 141.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.8 p -166.51 83.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.43 -136.33 9.25 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.48 89.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.97 -58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.57 -142.48 40.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.04 150.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.15 111.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -126.24 148.02 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.051 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -147.88 81.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.51 147.54 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -146.88 153.51 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -161.32 140.05 7.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.09 19.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.12 101.27 3.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.0 OUTLIER -100.47 -137.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.477 ' H ' HG22 ' A' ' 17' ' ' ILE . 19.1 m-20 -114.93 66.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.846 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . -170.3 177.88 0.96 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.846 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -74.97 -160.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 22' ' ' SER . 0.2 OUTLIER -123.9 -150.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 21' ' ' ILE . 36.0 t 66.1 -73.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.958 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' SER . 1.4 p-80 64.18 169.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -171.21 75.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -140.21 167.04 23.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.358 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m 60.29 156.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 22.01 13.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.9 mt -56.36 104.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.92 137.28 55.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -64.21 -35.47 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -35.23 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 60.5 m -64.07 -52.74 57.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG11 HH11 ' A' ' 47' ' ' ARG . 80.6 t -48.05 -36.64 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t0 -77.79 -34.01 52.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 94.4 m -56.9 -23.99 48.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.441 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.62 -18.23 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 34' ' ' ASP . 44.9 mt -68.5 -53.79 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.88 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -47.15 -47.21 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.79 55.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -138.22 156.44 47.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.57 144.92 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -59.66 -27.48 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -76.75 -54.05 7.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG11 HG13 ' A' ' 64' ' ' VAL . 2.8 t -54.37 -36.42 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.07 72.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.543 HH11 HG11 ' A' ' 33' ' ' VAL . 8.7 mtt85 -84.3 -27.21 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.7 mtmt -75.89 -40.61 54.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 60' ' ' ALA . . . -68.89 -42.04 77.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 60' ' ' ALA . 70.6 mt -78.08 -2.13 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -35.79 17.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -94.86 -34.48 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 59' ' ' LYS . 5.8 m -75.48 -55.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' ASP . . . 92.12 94.87 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.18 30.06 0.07 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 84.2 m-20 -118.48 76.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.6 mm -40.39 -54.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.1 -53.88 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 9.6 mttm -68.07 -37.41 81.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -60.82 -33.68 73.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.2 m -71.59 -11.8 61.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -97.0 -34.48 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.482 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 59.3 t90 -62.3 -35.34 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.005 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 60' ' ' ALA . 27.7 t -61.68 -58.36 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.7 m-30 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.49 -52.57 2.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 68' ' ' SER . 18.4 p30 -84.68 -36.84 21.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -87.26 98.6 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.64 157.63 24.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 132.17 15.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.6 p -89.91 113.99 25.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -113.36 -56.94 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.51 172.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 62.14 163.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.79 175.17 18.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.27 -59.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.07 164.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.943 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.46 118.89 3.36 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -93.24 -160.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt 61.04 61.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 t -177.37 118.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -154.04 -61.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.567 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 165.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.61 126.33 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.03 156.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.14 21.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -154.31 89.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 17' ' ' ILE . 81.0 mt -87.1 58.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 176.51 59.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -169.5 88.81 0.58 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.722 ' O ' HD13 ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.836 HG21 ' OE1' ' A' ' 24' ' ' GLN . 1.3 mm -126.83 -150.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.564 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -176.03 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 8.1 m-70 -92.11 -65.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.836 ' OE1' HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER 78.9 141.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 25' ' ' THR . 1.4 m -83.54 4.52 27.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m 39.53 80.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.84 15.15 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 51' ' ' LYS . 88.3 mt -62.37 99.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.72 125.82 27.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -50.42 -35.43 28.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.21 79.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' THR . 46.6 m -65.32 -53.81 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 46' ' ' ALA . 69.6 t -48.79 -35.32 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 9.3 t0 -76.64 -31.52 57.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 98.8 m -63.22 -24.01 67.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 50' ' ' LEU . 11.3 mt -96.09 -16.17 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 20.1 mt -64.93 -44.79 88.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -47.8 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.96 -48.57 2.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 134.3 55.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 23.6 m-85 -148.44 156.91 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 111.022 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.04 146.26 41.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.626 ' HB2' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -53.1 -33.38 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -66.43 -54.24 26.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.04 -34.87 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.34 -34.27 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -84.5 -33.09 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 16.5 mtmt -65.34 -44.36 88.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -67.17 -42.19 84.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 36' ' ' LEU . 20.1 mt -77.48 -8.22 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -88.47 -37.81 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.93 -36.32 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -85.88 -44.39 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . 119.29 -94.66 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -127.15 -40.62 0.33 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.74 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 35' ' ' THR . 3.4 mm -51.41 -49.73 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.83 -35.88 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.51 -45.88 35.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -62.77 -32.88 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 98.0 m -62.96 -33.27 75.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 42.2 t0 -79.64 -47.13 15.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 77.7 t90 -44.43 -51.07 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 60' ' ' ALA . 98.4 t -44.8 -47.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.2 m-85 -75.87 -56.57 4.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' PHE . 30.1 m-20 -40.55 -52.57 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' OD1' ' CE2' ' A' ' 63' ' ' TRP . 18.3 p30 -155.34 144.74 21.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -167.69 148.22 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.23 -168.22 25.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 147.64 34.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -57.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.024 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.05 117.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -169.11 138.03 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.68 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.97 131.33 9.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.67 161.37 34.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.12 89.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.08 -169.43 1.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.78 134.08 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.24 62.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.96 145.91 45.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.065 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -72.75 95.44 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.2 OUTLIER 47.09 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.38 103.02 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -154.93 131.27 5.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.57 13.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 171.18 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.597 HG22 ' HD3' ' A' ' 20' ' ' PRO . 38.9 mt -148.11 107.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -97.31 68.69 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.24 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.597 ' HD3' HG22 ' A' ' 17' ' ' ILE . 18.2 Cg_endo -75.05 53.8 3.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mm -135.47 113.76 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -77.41 99.45 5.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -99.07 171.78 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.76 169.75 17.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -43.49 156.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -66.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.72 22.84 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.662 HG21 ' HG2' ' A' ' 47' ' ' ARG . 78.5 mt -48.7 105.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.26 130.26 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -52.4 -41.94 63.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -35.33 75.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' THR . 58.3 m -66.97 -53.13 34.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG22 ' HG3' ' A' ' 47' ' ' ARG . 77.2 t -44.8 -38.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.86 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.2 t70 -78.29 -36.26 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.7 m -52.7 -26.48 14.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD12 HD11 ' A' ' 50' ' ' LEU . 5.2 mt -93.49 -22.85 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.1 mt -62.48 -51.12 68.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 m -61.12 -47.76 84.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -44.33 -52.91 7.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.13 58.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 27.2 m-85 -147.45 155.65 42.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.36 49.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.04 -34.93 10.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -54.06 22.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.23 -36.7 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -56.97 -34.34 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HG2' HG21 ' A' ' 28' ' ' ILE . 19.5 mtt180 -84.61 -42.64 15.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 18.5 mtpt -51.72 -49.76 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -63.07 -41.95 99.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 46' ' ' ALA . 31.6 mt -72.36 -10.8 60.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HB2' HD11 ' A' ' 28' ' ' ILE . 1.1 ttmt -86.7 -45.49 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -81.74 -27.27 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 p -88.69 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.82 85.09 0.62 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.8 -57.65 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.22 120.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mm -87.29 -48.56 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.51 -34.79 18.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.02 -41.23 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.534 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -58.93 -46.02 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.603 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 m -56.41 -37.27 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' PHE . 49.4 t0 -76.82 -49.17 16.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.587 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 61.1 t90 -42.79 -54.69 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' ALA . 66.4 t -40.85 -42.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 0.7 OUTLIER -85.18 -59.04 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' ND2' ' OD2' ' A' ' 62' ' ' ASP . 12.2 m-20 -40.66 -46.14 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.19 133.85 36.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 p -121.48 113.46 19.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.51 161.43 10.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' GLY . 8.8 t 63.14 123.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m 65.84 -75.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.955 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.61 166.69 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 p -136.26 -58.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 -63.97 3.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p 58.02 163.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.732 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.01 158.42 34.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.93 -152.08 6.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.08 137.27 32.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.48 172.16 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.5 m 61.11 154.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.77 104.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.606 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtp -177.67 148.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.51 169.83 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.54 150.84 64.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.38 21.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 175.97 122.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG22 ' H ' ' A' ' 18' ' ' ASP . 2.0 mt -115.35 -138.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 p30 -102.17 67.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 52.22 91.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.534 ' O ' HD13 ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.95 53.77 3.42 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 20' ' ' PRO . 4.7 mm -129.79 109.87 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -90.51 138.02 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.68 159.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -134.42 127.73 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -64.87 151.79 44.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -65.61 109.1 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.81 19.84 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG22 ' CG2' ' A' ' 33' ' ' VAL . 5.2 mt -41.29 103.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 m-20 -42.22 149.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -81.87 -35.71 29.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -35.34 79.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.949 ' OG ' HD13 ' A' ' 50' ' ' LEU . 51.4 p -64.85 -50.64 65.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 29' ' ' ASP . 68.0 t -51.58 -35.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.857 ' HA ' HD12 ' A' ' 37' ' ' LEU . 23.6 t0 -80.38 -34.07 36.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 75.4 m -58.23 -26.36 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 50' ' ' LEU . 1.8 mt -96.07 -16.01 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 34' ' ' ASP . 15.5 mt -66.83 -43.12 84.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -48.84 39.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.9 m-85 -39.24 -54.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.2 0.04 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.649 ' CD1' HG11 ' A' ' 64' ' ' VAL . 40.2 m-85 -144.9 157.4 44.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.29 148.87 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -57.62 -25.04 59.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -76.25 -54.15 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 t -56.78 -38.01 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -58.47 -35.47 72.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.39 -25.02 31.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 4.2 mtmm -77.22 -41.05 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.523 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -70.14 -40.29 74.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.949 HD13 ' OG ' ' A' ' 32' ' ' SER . 19.8 mt -80.9 0.56 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -41.11 10.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -90.23 -39.11 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.7 p -67.59 -46.38 72.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.48 91.43 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.64 42.6 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ALA . 71.3 m-20 -133.1 93.95 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.749 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mm -59.74 -51.41 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.87 -39.89 5.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -86.81 -31.65 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -64.6 -34.13 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.598 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 96.7 m -70.21 -25.01 63.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' PHE . 18.9 t70 -89.61 -41.99 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 57.5 t90 -51.8 -35.46 44.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 60' ' ' ALA . 94.3 t -60.09 -28.64 41.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.9 m-30 -96.18 -12.26 24.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' TRP . 5.9 m-80 -117.25 -172.42 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 63' ' ' TRP . 5.3 m-80 57.58 94.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.64 112.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.05 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.94 157.65 50.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.37 14.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.4 p -149.57 157.01 42.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.5 p -142.12 -57.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.93 168.8 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.65 155.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.41 -67.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 63.37 156.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -147.64 166.67 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.939 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.48 -159.2 7.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.32 153.09 19.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -171.69 143.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -139.1 -57.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.07 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.7 -62.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.633 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 mtt 60.68 80.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.05 164.86 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.9 131.23 91.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.2 Cg_endo -75.02 -16.74 19.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 1.7 m-20 156.43 74.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' ILE . 65.6 mt -101.91 61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 12.3 t70 176.36 94.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' ASP . . . 178.55 157.04 0.6 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 53.72 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.463 1.77 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -139.92 114.25 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 t 58.81 113.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -137.62 -64.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.644 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.74 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' HIS . 1.1 t -128.83 4.1 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 p 63.31 -165.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 164.71 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.1 mt -50.27 103.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.736 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.3 m-20 -46.59 135.56 8.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -72.73 -36.88 67.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -35.1 76.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.544 ' HB2' HD13 ' A' ' 50' ' ' LEU . 19.7 m -68.46 -49.0 63.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 29' ' ' ASP . 21.5 t -51.82 -38.08 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.851 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.3 t0 -74.5 -34.94 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 91.6 m -58.46 -25.16 61.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 60' ' ' ALA . 9.9 mt -95.79 -16.7 21.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.4 mt -67.54 -50.56 58.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -62.33 -48.62 79.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -42.23 -50.46 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 111.049 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.42 55.55 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' CD1' HG11 ' A' ' 64' ' ' VAL . 28.5 m-85 -141.85 152.15 43.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 150.72 45.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -61.84 -28.17 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.71 -54.02 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.5 -37.54 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.94 72.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 7.0 mtt-85 -84.69 -23.68 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 6.5 mtmm -79.17 -40.34 31.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -68.8 -37.44 79.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 32' ' ' SER . 34.5 mt -84.77 3.4 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.68 -42.86 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.95 -38.96 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.3 p -66.21 -48.77 69.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.12 89.4 0.79 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 40.07 3.66 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ALA . 77.1 m-20 -130.49 94.15 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 7.3 mm -59.58 -50.79 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -37.7 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -31.11 21.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -65.58 -42.18 92.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.593 HG22 ' CE2' ' A' ' 65' ' ' PHE . 94.0 m -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' ASN . 24.5 t70 -79.83 -42.48 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 78.4 t90 -51.09 -40.98 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 60' ' ' ALA . 46.1 t -61.53 -31.78 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE2' HG22 ' A' ' 61' ' ' THR . 1.9 m-30 -93.11 -10.35 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.6 m-80 -118.43 -173.45 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.18 92.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.62 92.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.8 -168.79 15.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 58.99 5.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -167.2 74.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 t -144.21 149.15 35.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -152.19 -58.26 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 0.753 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 50.07 83.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.74 136.57 9.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -154.89 105.14 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.95 159.32 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.91 -169.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.38 160.46 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.6 150.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.27 136.28 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 147.57 50.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.18 -56.07 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 t0 55.62 168.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.87 133.5 25.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -15.73 20.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER 166.94 125.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 16' ' ' ASP . 22.8 mt -153.46 108.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 16.1 t0 173.94 57.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . 73.74 177.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.99 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.6 mt -142.89 116.85 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -176.13 95.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.054 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -133.17 -61.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.64 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -154.4 175.61 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.8 m 65.55 131.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.87 162.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.61 -29.78 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mt -45.09 104.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.4 m-20 -60.01 143.49 51.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -71.77 -47.16 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -35.33 65.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -68.1 -52.05 39.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 29' ' ' ASP . 98.5 t -49.08 -38.4 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 14.4 t70 -74.83 -37.42 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.525 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 78.5 m -55.36 -24.56 30.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD12 HD11 ' A' ' 50' ' ' LEU . 14.4 mt -94.88 -20.93 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 30.3 mt -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -49.42 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.4 m-85 -38.83 -55.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.76 54.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CD1' HG11 ' A' ' 64' ' ' VAL . 31.3 m-85 -143.96 167.42 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.36 164.04 22.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -70.41 -30.24 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.04 -53.94 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -59.12 -37.68 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -57.96 -31.36 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -88.28 -24.68 23.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 11.7 mtmt -77.2 -41.06 42.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -69.06 -40.18 78.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 57' ' ' ILE . 22.5 mt -83.23 5.43 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -36.79 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.43 -38.99 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 p -67.5 -57.57 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.82 80.17 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.85 -57.09 1.76 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.46 125.37 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.698 HD13 HD21 ' A' ' 50' ' ' LEU . 18.6 mm -84.02 -55.53 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.33 -38.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -75.7 -40.83 55.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.85 -40.85 96.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 92.8 m -61.6 -35.06 76.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.9 -42.6 48.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CZ2' ' OD1' ' A' ' 67' ' ' ASN . 69.1 t90 -53.38 -51.02 63.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 108.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 60' ' ' ALA . 77.5 t -41.0 -47.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.5 m-85 -79.07 -52.25 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -79.95 94.69 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.569 ' OD1' ' CZ2' ' A' ' 63' ' ' TRP . 0.3 OUTLIER 177.61 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.9 p 63.23 116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.17 116.55 4.42 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -45.79 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 t -114.2 127.37 55.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t 48.22 88.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.5 108.75 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m 63.39 135.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.8 -148.31 6.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.61 93.66 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -151.32 139.95 20.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 -142.48 13.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.38 161.77 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.43 143.48 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 p -174.51 165.18 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -124.07 133.49 53.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.58 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.34 125.48 23.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.89 168.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.646 ' CG ' HD11 ' A' ' 17' ' ' ILE . 3.8 p-10 -45.61 131.53 6.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -74.92 -14.05 21.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 162.81 126.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.646 HD11 ' CG ' ' A' ' 14' ' ' ASP . 2.0 mt -119.18 -138.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.477 ' H ' HG22 ' A' ' 17' ' ' ILE . 13.3 p-10 -101.68 69.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 43.55 90.14 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 53.74 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.58 HG22 ' H ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -139.28 -150.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.58 ' H ' HG22 ' A' ' 21' ' ' ILE . 3.3 t 84.73 -64.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 168.95 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.572 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -137.7 73.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -63.9 144.57 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.7 p -135.01 96.23 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 23.82 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 47' ' ' ARG . 6.7 mt -57.04 104.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.8 127.9 33.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -50.31 -41.89 51.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -35.34 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' THR . 70.0 m -65.87 -55.37 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 46' ' ' ALA . 65.6 t -45.79 -33.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 37' ' ' LEU . 43.8 t0 -76.52 -39.96 51.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.551 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 23.6 m -52.89 -28.69 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' HG ' HD12 ' A' ' 57' ' ' ILE . 7.1 mt -90.79 -26.5 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 34' ' ' ASP . 22.3 mt -57.88 -49.47 76.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -64.51 -49.98 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.3 m-85 -38.99 -51.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 138.83 57.19 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 26.1 m-85 -148.54 163.6 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.95 154.98 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.9 tt0 -62.06 -32.07 72.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -67.47 -54.15 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.7 -36.63 74.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB3' HG13 ' A' ' 33' ' ' VAL . . . -58.59 -37.54 76.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' CG ' HG21 ' A' ' 28' ' ' ILE . 2.2 ttt180 -80.37 -25.9 38.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.8 mtmt -76.72 -40.92 47.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -66.49 -41.99 88.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.549 HD21 HD13 ' A' ' 57' ' ' ILE . 18.5 mt -75.25 -18.52 60.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.49 -50.18 54.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -79.14 -37.02 39.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.5 m -94.12 93.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.0 94.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.73 52.95 1.94 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -130.36 98.86 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 50' ' ' LEU . 11.7 mm -61.0 -46.95 95.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -40.52 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -82.64 -36.52 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -61.72 -42.73 99.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.599 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 55.5 m -57.92 -30.97 66.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 33.6 t70 -83.27 -46.28 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 53.2 t90 -46.09 -32.3 2.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 60' ' ' ALA . 73.8 t -67.69 -45.67 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.4 m-85 -77.14 -14.48 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 2.5 m-80 -118.04 -171.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.4 88.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.54 96.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.5 -168.39 22.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.158 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.44 159.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 95.13 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.1 169.45 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -107.41 -58.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.67 -161.53 32.29 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p -51.17 163.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -174.48 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.88 111.47 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.55 115.79 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.45 148.5 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.54 158.95 17.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -83.5 -61.68 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.622 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -172.88 83.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 57.11 167.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' CB ' HD11 ' A' ' 17' ' ' ILE . 5.8 p-10 -92.29 132.61 31.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -75.01 -13.55 21.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.76 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 2.2 m-20 156.93 128.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 18' ' ' ASP . 1.6 mt -124.22 -138.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' H ' HG22 ' A' ' 17' ' ' ILE . 8.1 t70 -103.53 59.98 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -168.49 91.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 53.77 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.4 mt 62.57 134.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.54 149.13 24.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -171.7 124.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.02 175.36 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -114.18 158.63 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.85 -169.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.26 18.25 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.505 HG21 ' HG2' ' A' ' 47' ' ' ARG . 5.6 mt -44.19 106.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . 7.9 m-20 -45.82 145.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -83.24 -22.59 33.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.59 60.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.471 ' CA ' HD11 ' A' ' 57' ' ' ILE . 72.3 m -69.01 -54.24 16.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' HG3' ' A' ' 47' ' ' ARG . 70.9 t -47.26 -37.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 37' ' ' LEU . 26.3 t70 -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 88.9 m -59.56 -24.22 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.77 -16.69 21.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 34' ' ' ASP . 26.9 mt -67.19 -43.67 81.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -48.09 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -41.46 -54.92 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.84 51.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 36.9 m-85 -140.66 155.15 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.76 150.6 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' HD21 ' A' ' 37' ' ' LEU . 1.5 tt0 -57.53 -33.4 68.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -66.0 -53.06 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 t -67.17 -34.99 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.76 58.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.1 mtt180 -87.77 -43.29 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HE2' ' CH2' ' A' ' 63' ' ' TRP . 17.2 mtpt -52.62 -49.32 65.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -64.18 -32.81 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 28' ' ' ILE . 68.3 mt -86.76 3.07 46.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 47' ' ' ARG . 1.1 ttmt -96.89 -43.05 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.9 -39.08 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -69.8 -42.98 73.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.88 91.23 0.8 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 37.86 50.85 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 80.1 m-20 -139.02 108.29 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.471 HD11 ' CA ' ' A' ' 32' ' ' SER . 20.5 mm -68.12 -51.97 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.79 -43.83 58.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 2.7 mttt -74.47 -48.99 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CA ' ' HB1' ' A' ' 49' ' ' ALA . . . -53.17 -45.55 68.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.601 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 88.9 m -55.14 -22.3 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.454 ' CG ' ' ND2' ' A' ' 66' ' ' ASN . 56.8 t0 -88.28 -49.74 6.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.437 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 45.0 t90 -45.01 -49.55 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.9 t -44.13 -39.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -89.28 -56.89 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.454 ' ND2' ' CG ' ' A' ' 62' ' ' ASP . 4.6 m-20 -40.42 -51.42 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -109.45 106.5 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.07 142.05 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.73 -176.24 35.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.83 30.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.13 100.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -163.08 143.01 8.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.07 159.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.32 -156.01 23.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.67 169.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 0.761 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -148.93 122.08 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.13 -98.89 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.08 143.0 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.66 132.65 53.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.6 p -169.59 141.1 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -139.09 164.24 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.54 -59.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t0 63.0 103.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' HB3' HD12 ' A' ' 17' ' ' ILE . 11.9 p-10 -126.17 131.65 24.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -24.26 12.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 t0 174.52 51.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 17' ' ' ILE . 79.9 mt -86.69 60.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 176.81 94.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 20' ' ' PRO . . . -176.78 178.74 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.08 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 21' ' ' ILE . 17.1 mt -109.87 41.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t 174.36 140.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.007 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -155.65 -61.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 124.89 28.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -60.02 150.44 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -45.19 127.97 7.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.94 23.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.828 HG21 ' HG2' ' A' ' 47' ' ' ARG . 7.6 mt -53.12 105.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.11 130.95 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -53.14 -47.0 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -35.36 67.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.4 m -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 87.2 t -45.16 -38.73 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.826 ' HA ' HD12 ' A' ' 37' ' ' LEU . 15.0 t0 -77.37 -41.16 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 55.4 m -48.75 -29.37 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 HD11 ' A' ' 50' ' ' LEU . 8.0 mt -91.09 -25.84 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 34' ' ' ASP . 29.2 mt -60.32 -44.71 95.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.5 m-85 -44.21 -50.02 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.494 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 136.52 59.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 29.7 m-85 -146.96 167.79 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.92 161.08 26.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' CA ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -67.93 -31.45 71.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.6 -54.04 8.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.41 -35.66 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.623 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -59.03 -34.04 71.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.828 ' HG2' HG21 ' A' ' 28' ' ' ILE . 3.8 mtt-85 -85.8 -35.85 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 3.4 mtmm -61.77 -45.35 94.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 57' ' ' ILE . 16.0 mt -75.54 -8.13 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -85.08 -41.16 16.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB3' ' CD1' ' A' ' 63' ' ' TRP . . . -85.84 -39.0 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.8 p -77.57 -53.79 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 90.34 1.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 68.96 -59.12 0.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' GLY . 66.0 m-20 -40.26 116.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.899 HD13 HD21 ' A' ' 50' ' ' LEU . 21.2 mm -79.88 -51.29 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.73 -36.65 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -78.37 -34.03 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.683 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -68.31 -42.15 79.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.591 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 86.0 m -59.77 -24.72 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.6 t70 -85.35 -50.35 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 75.0 t90 -46.34 -41.98 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 60' ' ' ALA . 87.4 t -51.53 -53.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 61' ' ' THR . 2.7 m-85 -79.66 -11.93 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ASP . 2.2 m-80 -106.8 -171.74 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 53.84 90.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -155.73 133.34 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.8 -157.51 30.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 t 68.73 149.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.3 113.54 10.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -47.69 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m 56.52 -91.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.0 -168.77 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.4 -57.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.18 166.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.34 -103.8 2.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.65 144.55 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -85.89 155.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.44 ' C ' HD22 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -76.51 104.49 7.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -70.59 73.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.612 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 162.04 20.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.05 93.39 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.13 146.57 99.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -90.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.484 ' C ' HD13 ' A' ' 17' ' ' ILE . 9.7 t0 -124.19 77.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD13 ' C ' ' A' ' 16' ' ' ASP . 3.0 mm -115.11 -138.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 17' ' ' ILE . 15.0 t0 -94.53 67.84 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.32 109.32 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.87 3.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.7 mt 62.57 134.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -176.83 -69.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -168.65 152.23 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.589 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -106.49 140.46 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.348 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -139.1 152.22 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.38 -67.55 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 64.62 21.68 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 HG22 ' CG2' ' A' ' 33' ' ' VAL . 8.6 mt -40.39 101.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.44 132.85 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -64.08 -38.37 90.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -35.24 77.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.46 -53.74 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG2' HG22 ' A' ' 28' ' ' ILE . 64.9 t -46.5 -38.0 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.829 ' HA ' HD12 ' A' ' 37' ' ' LEU . 21.7 t0 -78.64 -38.48 39.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 m -50.92 -29.73 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 50' ' ' LEU . 5.6 mt -90.57 -24.04 20.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 34' ' ' ASP . 31.0 mt -62.6 -39.62 94.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -41.39 74.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 35' ' ' THR . 4.0 m-85 -51.92 -48.12 64.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.07 57.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PHE . 34.4 m-85 -144.27 157.99 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.29 -31.58 70.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -70.51 -53.62 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.58 -37.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' HD12 ' A' ' 50' ' ' LEU . . . -60.28 -31.19 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -88.41 -25.76 22.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 20.1 mtmt -75.13 -41.69 57.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -67.32 -41.94 84.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 46' ' ' ALA . 22.3 mt -74.6 -25.67 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -49.79 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.81 -33.07 40.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 m -97.33 95.63 7.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.63 94.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 37.69 35.76 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -110.15 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 3.8 mm -57.46 -48.81 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -37.31 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -86.2 -29.95 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.734 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -67.62 -40.02 84.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.59 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 23.8 m -68.01 -21.47 65.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.92 -49.28 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 73.4 t90 -43.83 -51.15 7.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 60' ' ' ALA . 90.7 t -41.79 -46.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 61' ' ' THR . 0.9 OUTLIER -82.06 -46.89 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.1 80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . 31.1 m120 -156.72 150.76 24.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -142.07 116.03 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.82 157.53 8.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 91.0 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.33 119.74 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 t 53.21 85.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.38 120.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.82 135.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 108.07 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -73.27 164.15 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 0.724 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.17 -58.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 -121.87 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.09 149.07 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -113.49 111.57 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -157.61 98.97 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -138.75 131.26 28.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.35 -53.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.13 112.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.11 163.12 8.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.27 9.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -175.95 116.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 18' ' ' ASP . 2.3 mt -115.3 -138.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.6 OUTLIER 39.86 89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.74 104.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.01 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' PRO . 2.0 mm 61.84 130.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -148.37 -64.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 57.81 81.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.072 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -143.52 144.75 32.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -41.02 136.72 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.0 p -118.17 115.03 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.41 19.4 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' A' ' 47' ' ' ARG . 9.5 mt -41.86 103.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -58.76 148.9 27.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -74.56 -45.73 43.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.3 71.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.41 ' HB2' HD13 ' A' ' 50' ' ' LEU . 34.0 m -65.34 -53.41 44.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG11 HH11 ' A' ' 47' ' ' ARG . 87.5 t -49.63 -34.91 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.869 ' HA ' HD12 ' A' ' 37' ' ' LEU . 12.1 t70 -78.1 -32.59 50.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 99.2 m -59.64 -24.97 64.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -95.96 -15.38 22.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 34' ' ' ASP . 25.8 mt -68.48 -41.19 80.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -50.51 16.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 35' ' ' THR . 3.8 m-85 -39.69 -55.1 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 143.58 54.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 64' ' ' VAL . 29.8 m-85 -146.9 148.96 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.77 151.75 46.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -53.98 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.16 -34.56 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.05 86.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.578 HH11 HG11 ' A' ' 33' ' ' VAL . 9.5 mtt85 -79.51 -20.76 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HB3' ' CH2' ' A' ' 63' ' ' TRP . 2.5 mtmm -81.4 -40.02 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HB1' ' CA ' ' A' ' 60' ' ' ALA . . . -70.26 -39.14 75.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 36' ' ' LEU . 21.1 mt -83.84 1.76 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -35.88 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.94 -38.92 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.1 p -69.5 -47.5 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.943 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.05 85.35 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 69.9 -58.89 0.76 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' GLY . 29.1 m-20 -40.62 123.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.49 HD13 HD21 ' A' ' 50' ' ' LEU . 4.8 mm -86.4 -51.96 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.11 -35.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -42.17 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 64' ' ' VAL . . . -58.18 -39.76 79.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.586 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.2 m -61.95 -31.67 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.14 -42.74 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 48' ' ' LYS . 62.6 t90 -50.6 -49.66 55.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 60' ' ' ALA . 91.9 t -44.74 -32.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 61' ' ' THR . 1.3 m-30 -93.34 -58.58 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.7 m-20 -42.6 -54.07 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.083 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.81 107.17 6.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -132.6 125.56 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.15 163.82 3.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.45 16.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 m -66.3 141.71 57.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.56 168.34 15.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.985 . . . . . . . . 0 0 . 1 stop_ save_