data_1ugv_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 1ugv _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 ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -131.92 154.69 48.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.14 155.6 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.1 ttpp -117.59 132.99 56.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.97 126.5 29.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 mt -74.77 -49.4 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 15.2 m-85 -125.36 153.5 43.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.67 41.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 4.1 t -121.54 138.56 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.9 mt -122.48 149.45 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.6 p -112.87 135.26 53.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.9 p90 -157.93 175.98 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.3 p -114.29 144.96 42.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.95 135.34 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 -12.05 69.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -62.95 125.49 24.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.48 127.93 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 86.8 m-85 -95.93 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.62 144.13 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 40.24 79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 63.2 t -97.23 130.27 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.02 167.0 15.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -64.61 172.17 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -64.36 -29.94 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -79.13 152.23 76.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.62 34.71 88.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -137.66 123.94 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 73.2 mt -95.92 145.27 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 13.9 tt0 -119.0 97.86 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.88 -168.41 14.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -126.22 105.24 8.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -99.9 103.68 15.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 59.66 74.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.37 40.3 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -145.75 119.63 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -101.33 140.09 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -164.79 -167.48 25.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 86.8 mt -94.2 137.87 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 9.0 mt -130.69 140.69 39.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.77 -22.04 66.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -89.38 18.73 4.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.48 11.7 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 47' ' ' LEU . 4.9 m -129.69 167.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.0 tt0 -149.9 89.47 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' CZ ' HD11 ' A' ' 47' ' ' LEU . 53.7 m-85 -41.34 135.11 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -130.44 158.58 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.02 153.6 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.89 130.95 55.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . . . -69.99 130.96 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 47.9 mt -82.27 -43.5 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.47 142.56 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 134.1 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -133.1 134.54 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 mt -126.51 151.54 47.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -118.21 132.47 56.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 15' ' ' ALA . 18.0 p90 -153.66 179.53 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.6 p -124.08 146.61 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.26 127.18 4.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 -39.76 2.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -43.69 140.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.364 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.61 134.3 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 92.0 m-85 -95.92 150.51 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.25 142.29 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 43.29 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 54.2 t -95.86 144.96 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -160.94 164.72 18.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -59.78 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -83.16 -19.0 37.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 6.2 mp0 -86.51 155.22 56.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 37.06 92.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -137.37 120.35 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 65' ' ' PHE . 73.9 mt -92.88 149.98 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.7 tt0 -121.68 99.29 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.73 -167.82 13.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -127.02 114.8 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -113.44 105.94 13.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' GLY . 96.1 m-20 59.59 75.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.54 39.24 0.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.02 127.65 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.6 m -111.14 143.22 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.84 -166.8 28.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 73.5 mt -91.47 143.41 26.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 35' ' ' PHE . 27.7 mt -134.06 140.05 35.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 115.51 4.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.45 -22.24 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.65 17.72 5.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.55 12.11 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.78 169.99 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.25 88.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' A' ' 47' ' ' LEU . 51.8 m-85 -40.03 133.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -131.13 159.42 37.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.77 153.41 48.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -116.73 133.08 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.37 -45.17 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.67 145.58 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 129.56 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -123.56 151.57 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -126.65 158.61 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -121.62 138.02 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.5 p90 -163.0 174.8 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -115.6 147.97 40.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.91 129.16 5.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.65 -24.01 28.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -54.88 126.85 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.75 125.14 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 76.0 m-85 -92.02 150.81 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.97 144.68 26.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 40.72 83.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.6 t -100.23 134.75 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.63 167.23 13.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 116.14 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -64.92 -173.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -29.89 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -79.34 153.53 76.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 128.19 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.84 33.92 81.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 96.0 m95 -135.84 129.51 32.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 69.2 mt -101.55 146.17 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 12.0 tt0 -118.76 97.5 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.98 -171.99 15.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.6 m -120.7 116.74 25.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -114.51 103.83 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.87 71.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.98 40.18 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -147.35 122.35 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.35 146.77 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.76 -169.81 32.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 68.7 mt -92.97 140.04 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 15.0 mt -131.94 139.11 34.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 116.33 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 5.3 tt0 -60.65 -22.43 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -88.86 18.46 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -140.3 12.28 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 47' ' ' LEU . 6.6 m -130.88 169.58 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.43 89.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' A' ' 47' ' ' LEU . 49.7 m-85 -41.62 134.93 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -133.65 170.1 16.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.64 150.7 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.26 130.89 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -66.47 128.57 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 63.8 mt -76.24 -47.34 24.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 16.6 m-85 -131.33 146.33 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 132.7 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -132.16 150.93 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.254 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 157.11 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -116.7 128.03 54.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 18.8 p90 -153.42 173.74 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.7 p -117.44 146.67 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.01 127.4 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.65 -32.61 6.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -46.59 131.83 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 t -103.15 128.32 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CE2' HG12 ' A' ' 63' ' ' VAL . 80.7 m-85 -95.04 141.87 28.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 41.02 85.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 61.3 t -102.28 142.78 15.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.85 165.8 17.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.576 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.508 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.7 t -61.38 -178.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -27.23 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -74.21 157.59 86.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.17 45.27 88.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' SER . 91.4 m95 -140.15 119.14 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 65' ' ' PHE . 77.9 mt -89.27 144.74 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.3 tt0 -118.17 102.17 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.48 -169.78 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -122.83 112.65 18.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.54 100.36 9.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 61.31 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.68 40.59 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -147.98 118.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -99.37 139.57 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.35 -172.12 29.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 64.7 mt -91.06 140.72 29.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 9.2 mt -132.25 140.75 38.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.8 -22.03 66.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -90.26 20.01 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.64 15.9 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG12 ' CE2' ' A' ' 35' ' ' PHE . 15.6 m -132.64 174.34 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 1.3 tt0 -154.9 86.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 47' ' ' LEU . 47.4 m-85 -38.97 131.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -132.53 174.96 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.12 143.28 17.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -109.31 135.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.31 130.71 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 64' ' ' GLU . 65.1 mt -79.12 -43.8 23.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 18.1 m-85 -133.08 148.62 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 130.95 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.01 147.21 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 56' ' ' GLY . 26.6 mt -121.95 159.7 26.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -121.82 136.85 54.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p90 -162.32 -172.1 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.9 p -129.71 150.86 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.13 134.18 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.93 62.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 m -66.32 121.7 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -96.74 124.14 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 81.9 m-85 -92.41 131.42 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.87 138.2 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.31 87.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.07 149.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 3.6 p80 -163.11 165.21 15.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.06 3.47 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -62.0 -167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' CD ' ' OE2' ' A' ' 43' ' ' GLU . 1.5 pp0? -89.01 -26.77 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 42' ' ' GLN . 1.6 mp0 -71.51 156.63 91.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.78 3.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.52 46.0 34.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -141.81 123.07 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 86.7 mt -90.87 152.96 20.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 13.0 tt0 -127.02 100.57 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.81 -176.14 14.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -110.26 138.8 46.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 0.0 110.437 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.59 -66.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.24 55.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.94 -4.97 63.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.68 138.09 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -114.33 146.59 40.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.13 -163.7 25.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 92.4 mt -94.22 138.65 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 6.3 mt -130.1 140.71 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.03 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.22 -22.39 66.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -89.67 19.66 4.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.01 12.58 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 47' ' ' LEU . 17.0 m -130.85 173.26 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CB ' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -154.39 88.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 47' ' ' LEU . 46.7 m-85 -40.32 135.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -138.6 159.39 42.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.7 156.0 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -119.2 129.5 55.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 126.46 28.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.25 -42.76 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 31.1 m-85 -131.19 159.97 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 127.58 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 2.5 t -124.11 137.66 54.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 mt -114.18 146.64 40.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -111.47 133.79 53.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.4 p90 -159.43 -172.1 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 p -125.91 156.04 40.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 130.57 36.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.81 -11.33 59.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 121.44 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.6 t -91.55 131.41 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 83.8 m-85 -100.21 137.95 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.42 142.65 28.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.45 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.12 146.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -165.35 159.75 14.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -74.99 112.8 3.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.42 -155.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -90.7 -26.53 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -81.52 147.25 59.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.12 8.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.11 21.39 70.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.9 m95 -129.98 126.59 38.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 65' ' ' PHE . 60.0 mt -100.16 157.39 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.626 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 12.7 tt0 -128.24 99.68 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.52 -174.76 15.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.2 m -117.27 111.95 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -111.51 102.17 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.08 74.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.57 36.86 0.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -142.01 120.97 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -104.16 140.92 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.41 -170.2 31.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.35 145.65 25.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 35.3 mt -135.71 140.7 34.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.0 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 3.5 tt0 -58.68 -21.96 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -89.19 18.27 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -140.24 12.15 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 47' ' ' LEU . 4.7 m -130.29 170.99 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -152.72 89.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 47' ' ' LEU . 56.2 m-85 -42.0 137.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -137.45 146.82 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 153.25 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.68 132.04 56.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.78 129.35 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt -81.48 -49.85 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.0 m-85 -119.45 162.77 18.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.51 133.78 34.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -131.59 150.19 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.12 166.82 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.0 m -116.79 151.84 35.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -173.14 -178.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.1 p -124.67 146.3 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.94 137.51 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.59 17.38 56.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -97.63 116.35 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.14 131.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 95.4 m-85 -100.78 135.38 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.3 129.16 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.89 86.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 39' ' ' HIS . 72.0 t -112.17 142.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' N ' HG13 ' A' ' 38' ' ' VAL . 1.5 p80 -157.94 166.33 16.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -67.4 -178.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -73.2 -32.98 65.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.24 152.71 90.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 33.68 87.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -135.24 121.92 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 65' ' ' PHE . 85.2 mt -93.66 154.18 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 3.3 tt0 -125.75 104.17 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.86 -172.65 13.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.0 m -115.04 144.01 44.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.2 tp -115.42 -65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.28 84.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.3 24.37 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -141.25 127.78 20.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -107.08 143.5 35.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.03 -166.24 26.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 79.0 mt -87.46 143.57 27.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 17.6 mt -133.67 141.33 39.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 121.4 6.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.12 -22.5 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -88.4 17.27 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.86 10.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 47' ' ' LEU . 12.9 m -129.79 171.08 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -152.44 86.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 47' ' ' LEU . 49.8 m-85 -38.56 135.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.79 -172.23 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.77 144.21 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -109.67 134.4 52.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -72.27 128.72 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -76.43 -49.13 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.8 m-85 -126.06 159.14 33.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 130.16 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.55 149.53 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.4 mt -119.67 152.98 36.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -122.73 135.06 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 5.2 p90 -159.16 -174.56 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -122.4 148.59 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.25 136.22 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.49 38.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -102.86 122.52 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.52 136.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 94.9 m-85 -106.42 123.04 47.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.57 142.53 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 44.47 88.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 39' ' ' HIS . 63.3 t -106.41 153.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -174.24 159.29 2.74 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.549 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.3 p -56.36 -162.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.42 -22.37 28.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -80.36 146.01 60.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' CA ' ' OE2' ' A' ' 60' ' ' GLU . . . 84.24 32.24 23.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.6 m95 -139.51 129.13 24.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ILE . 21.6 mt -98.86 158.4 15.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.613 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 8.3 tt0 -132.33 103.53 6.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.36 -170.25 12.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.6 m -117.2 139.12 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -142.53 110.95 6.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 54.17 63.15 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.34 39.37 9.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -144.16 119.45 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 m -104.73 144.29 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.87 -167.77 30.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.3 147.5 25.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 0.725 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' LEU . 53.1 mt -137.01 140.05 30.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.0 Cg_endo -75.01 105.52 2.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' OE2' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -53.73 -20.29 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 3.2 p-10 -89.58 16.66 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -138.2 15.1 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.78 172.17 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -153.12 87.56 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -37.92 135.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -135.16 153.25 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -130.84 150.53 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.24 127.41 54.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -66.06 122.26 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 50.3 mt -70.4 -49.48 48.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 7.0 m-85 -125.94 149.73 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 130.68 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.546 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -128.23 132.77 48.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 108.281 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mt -118.07 146.69 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -105.21 131.09 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 12.4 p90 -156.45 174.05 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p -115.83 146.89 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.09 129.97 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.5 23.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -52.95 125.96 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.355 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.98 125.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 58' ' ' ILE . 75.3 m-85 -94.79 152.0 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.58 145.47 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 40.02 84.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' CB ' ' A' ' 13' ' ' ALA . 57.9 t -98.04 136.94 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -155.91 160.0 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.55 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.02 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -56.44 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -88.68 -14.4 37.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 152.85 45.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 126.07 9.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.57 33.75 85.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -135.86 123.89 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ILE . 60.7 mt -97.67 152.34 19.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 16.0 tt0 -125.01 97.66 5.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.87 -175.45 19.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -120.62 102.29 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.1 tp -97.39 100.44 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.34 75.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.87 37.85 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 ttpm? -142.17 120.03 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -100.38 139.73 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.61 -173.94 32.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.54 142.34 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 24.1 mt -133.37 140.39 36.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -57.86 -22.38 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -89.31 19.31 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.8 15.0 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 m -130.83 168.19 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 2.4 tt0 -148.32 88.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -40.26 137.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -138.04 146.69 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.61 152.01 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -113.52 132.16 55.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -68.29 129.78 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -79.42 -49.5 12.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.9 m-85 -126.92 149.72 49.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 127.89 34.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -127.15 135.41 50.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 108.263 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 66.2 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.2 163.06 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 p -123.48 136.87 54.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 p90 -161.69 -173.92 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.5 p -125.24 154.72 41.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 136.32 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.71 19.62 47.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 117.5 34.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.11 126.2 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 88.8 m-85 -95.62 128.69 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.59 136.52 35.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.09 87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.52 148.67 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.71 166.4 10.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.03 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 8.3 t -66.96 -160.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -92.47 -18.95 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -88.18 151.01 48.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.53 5.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.44 55.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 90.9 m95 -132.92 130.02 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 66.1 mt -100.54 161.0 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.41 98.84 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.92 -175.86 14.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.402 ' OG1' ' OG1' ' A' ' 55' ' ' THR . 87.6 m -110.76 152.82 26.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -119.75 -68.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -130.93 77.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.59 24.67 57.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -140.41 143.73 35.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 ' OG1' ' OG1' ' A' ' 50' ' ' THR . 39.3 m -120.44 143.9 48.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.53 -164.8 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 84.8 mt -89.01 144.16 26.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 41.9 mt -135.12 139.94 33.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.0 117.8 5.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.14 -23.14 66.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -88.14 18.1 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -139.02 10.69 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 47' ' ' LEU . 11.1 m -130.49 171.93 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.8 89.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 47' ' ' LEU . 58.3 m-85 -41.82 129.81 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.93 160.5 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -137.26 153.45 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.64 129.47 54.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -65.42 132.97 50.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 63.6 mt -82.5 -45.49 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 12.2 m-85 -130.88 145.92 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.22 127.85 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -126.58 133.84 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.272 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -124.57 149.29 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.2 p -117.53 134.34 54.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 10.9 p90 -158.12 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.0 p -124.87 146.52 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.81 123.67 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.52 -22.25 22.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 m -59.68 128.95 39.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.8 t -102.21 133.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 66.4 m-85 -100.64 152.58 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.25 144.61 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 40.22 84.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 13' ' ' ALA . 53.1 t -96.57 147.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -169.69 159.14 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.01 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 t -59.4 -151.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -99.05 -13.52 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -90.33 150.13 42.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.61 28.14 63.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 92.3 m95 -133.07 135.56 45.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ILE . 23.6 mt -109.7 157.25 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 6.4 tt0 -127.34 105.54 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.41 177.03 16.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -111.18 108.77 18.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.33 99.41 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLY . 12.1 m-80 60.05 76.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.03 40.5 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -142.58 119.1 10.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 m -99.06 142.55 30.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.07 -174.41 38.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.96 152.23 22.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LEU . 66.3 mt -139.88 137.58 18.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.96 108.69 2.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.59 -23.29 10.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -88.34 18.89 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -142.42 21.16 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -136.87 169.55 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 2.8 tt0 -150.56 86.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -39.35 133.76 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -130.39 152.86 49.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.1 152.67 50.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.0 132.45 56.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -67.56 134.46 51.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.6 mt -84.05 -46.08 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 11.3 m-85 -130.9 140.94 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 129.92 44.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 1.7 t -125.39 134.97 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 20.7 mt -125.67 146.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -109.69 133.35 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 19.4 p90 -163.96 170.52 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -105.86 169.51 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.08 129.84 41.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.47 -19.92 38.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 51' ' ' LEU . 4.5 m -57.36 129.6 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.6 t -99.67 139.73 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 58' ' ' ILE . 87.7 m-85 -108.08 146.8 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.94 143.34 26.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.99 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.1 t -103.59 140.76 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.32 167.18 15.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.48 3.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -62.89 172.0 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.23 -22.09 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -85.46 152.14 57.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.78 10.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.68 33.59 84.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 92.4 m95 -136.0 121.96 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.65 146.05 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.2 tt0 -116.91 99.18 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.57 -176.6 16.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 m -120.89 104.02 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 110.377 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 33' ' ' THR . 10.4 tp -101.1 127.23 47.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 51' ' ' LEU . 8.2 p30 41.76 67.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.89 25.69 0.68 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.8 ttpp -129.96 117.36 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 m -96.42 144.4 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 27' ' ' LEU . . . -168.83 -166.38 27.8 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 83.8 mt -95.86 140.97 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.531 HD11 ' CD1' ' A' ' 35' ' ' PHE . 14.7 mt -131.94 140.31 37.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.491 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 118.88 5.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.09 -23.43 66.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -88.52 19.38 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.61 16.27 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.36 171.25 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.59 88.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -38.4 136.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.55 164.37 27.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.57 126.72 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 122.81 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.75 -49.58 51.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.0 m-85 -126.79 151.92 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 132.68 47.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -133.58 148.9 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mt -126.04 163.22 23.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 p -123.63 129.66 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.24 171.79 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.8 p -110.26 145.44 37.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 137.74 2.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.91 -22.03 42.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -57.23 130.26 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 t -100.0 135.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.21 139.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.29 145.57 25.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 42.39 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 39' ' ' HIS . 63.2 t -103.94 158.8 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.9 p-80 -178.86 159.73 1.02 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.98 109.86 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.37 -163.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -18.48 31.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -85.58 147.69 47.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.18 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.77 28.46 62.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 91.3 m95 -134.16 133.68 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 65' ' ' PHE . 50.5 mt -105.45 154.76 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 tt0 -125.04 105.64 9.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.25 -176.8 14.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -114.26 140.21 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 0.806 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tp -143.72 109.55 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.52 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.63 40.03 1.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -145.96 141.46 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -120.81 147.42 45.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.03 -165.76 26.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 81.5 mt -97.65 144.77 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.431 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 9.5 mt -132.0 140.2 37.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.13 -22.37 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -89.18 18.98 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.76 12.88 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 58' ' ' ILE . 18.8 m -130.94 169.08 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -148.31 86.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 47' ' ' LEU . 39.7 m-85 -39.25 132.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -140.13 149.12 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.97 152.41 47.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -118.47 127.49 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.65 128.95 38.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 mt -77.54 -44.87 27.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.3 m-85 -129.61 152.59 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 133.95 47.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -137.04 152.26 49.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 56' ' ' GLY . 11.5 mt -117.48 154.53 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -113.62 135.82 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -157.59 -176.81 6.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.8 p -122.46 146.31 47.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 133.17 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.37 -12.58 63.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -65.32 122.78 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 t -95.85 124.07 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CD1' HD11 ' A' ' 58' ' ' ILE . 87.5 m-85 -91.07 150.11 21.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASN . 1.2 m-20 -95.92 144.22 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER 39.84 88.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 39' ' ' HIS . 54.4 t -102.14 153.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -172.22 159.28 4.25 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.553 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.95 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.496 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -56.79 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -89.34 -13.41 37.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -90.99 153.63 44.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.33 11.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.13 37.09 94.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.586 1.178 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -138.05 124.76 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' ILE . 58.5 mt -99.93 147.08 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.623 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 9.4 tt0 -119.46 101.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.12 -175.37 15.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.8 m -119.07 116.56 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.58 105.51 11.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.1 m-80 61.08 73.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.42 37.81 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -143.03 121.7 12.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -103.62 143.91 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -167.79 -171.0 33.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.67 145.98 24.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 35.0 mt -135.33 140.14 33.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.04 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -59.31 -22.12 60.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -88.81 17.84 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -139.78 11.83 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' A' ' 47' ' ' LEU . 16.0 m -130.44 166.74 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.89 90.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -41.42 137.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -136.06 163.41 30.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.86 145.85 33.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -110.43 128.96 55.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -67.54 130.82 44.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -80.4 -49.53 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.0 m-85 -127.29 148.64 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 129.4 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.41 146.38 46.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -114.04 158.95 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -124.93 132.72 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 6.0 p90 -160.42 -174.54 4.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -121.14 155.15 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.67 138.66 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.72 19.33 54.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -99.38 122.32 42.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.56 138.71 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 96.9 m-85 -110.07 129.96 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.68 144.97 34.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 42.3 89.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.5 t -108.7 134.27 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.8 p80 -150.66 163.06 25.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 111.77 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 4.1 p -57.19 -161.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -90.46 -27.7 19.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.58 155.42 76.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.96 11.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.58 40.4 96.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -140.85 129.16 22.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' ILE . 48.5 mt -103.08 144.84 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 17.9 tt0 -117.3 97.84 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.58 -168.02 13.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -119.73 142.82 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -145.14 104.7 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 60.08 64.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.0 8.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.4 m -112.42 145.11 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.34 -166.66 29.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.33 142.68 27.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 24.3 mt -133.2 139.54 34.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.92 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.76 -22.38 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -87.91 16.58 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.59 9.94 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.7 171.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.9 89.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -38.62 137.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -146.06 159.79 42.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.12 145.91 31.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.3 ttpp -109.74 132.76 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -71.15 130.37 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 mt -79.17 -50.36 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 15.4 m-85 -125.13 153.98 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.25 127.38 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.72 44.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 tttp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 mt -113.82 144.67 42.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -111.22 125.61 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 5.8 p90 -153.46 -172.22 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.7 p -124.52 153.27 42.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.3 139.77 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.1 65.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -93.28 120.44 33.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.07 135.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 97.1 m-85 -106.69 123.1 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.43 135.7 37.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 55.6 86.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.38 150.08 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.58 164.79 8.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 5.2 p -60.24 -160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -37.02 55.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.78 137.54 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.11 2.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.1 38.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -156.18 121.19 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.8 mt -88.11 143.64 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 15.2 tt0 -117.67 100.49 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.11 -168.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -117.5 144.4 45.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 0.771 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.25 -69.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.35 76.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.37 19.28 39.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -135.91 136.0 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -111.07 146.4 36.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.97 -164.73 25.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.32 143.42 26.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 21.1 mt -133.71 137.9 29.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 105.67 2.13 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -53.94 -21.33 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -88.31 15.79 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.17 9.99 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 47' ' ' LEU . 8.7 m -129.84 168.96 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.7 tt0 -147.4 90.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 47' ' ' LEU . 51.0 m-85 -40.29 140.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -139.84 148.21 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.91 156.33 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.95 125.25 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -60.57 141.58 56.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.25 -46.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.73 150.94 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.75 160.83 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -150.68 147.56 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -130.24 152.75 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -112.97 132.75 55.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 1.7 p90 -156.47 169.56 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.1 p -110.17 146.52 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.24 135.02 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.62 21.44 34.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -102.7 121.76 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 110.352 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.7 t -89.25 137.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.541 ' CE1' HD12 ' A' ' 58' ' ' ILE . 96.4 m-85 -100.3 -177.7 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.57 136.49 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 45.06 79.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.2 t -94.84 127.97 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 27.0 p80 -144.31 158.43 54.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.56 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.51 -15.53 39.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 7.5 mp0 -85.04 152.01 58.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.48 8.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 38.37 95.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -136.48 129.77 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 63' ' ' VAL . 33.6 mt -101.31 150.1 23.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 3.0 tt0 -121.41 92.51 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.04 -169.48 22.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.3 m -131.61 100.3 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.443 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -97.52 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.81 70.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 42.17 2.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -145.87 120.18 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -98.41 149.63 22.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.66 -169.75 34.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.88 137.99 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.541 HD12 ' CE1' ' A' ' 35' ' ' PHE . 12.8 mt -131.87 140.13 37.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 6.7 tt0 -63.12 -17.64 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.66 16.0 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.02 8.61 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 47' ' ' LEU . 4.8 m -126.42 167.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.91 89.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -41.66 132.12 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -127.04 165.41 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.16 151.7 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -114.41 129.89 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.63 124.14 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 53.6 mt -71.33 -47.4 56.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 13.1 m-85 -130.66 153.35 49.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.25 129.8 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -130.35 147.08 52.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 56' ' ' GLY . 11.8 mt -121.45 168.89 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 p -126.79 128.82 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -153.22 -179.11 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.3 p -124.25 147.74 47.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.81 135.99 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.37 11.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -48.62 126.58 12.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -101.31 114.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 58' ' ' ILE . 81.1 m-85 -79.3 158.04 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.83 141.9 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 44.82 87.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -100.68 135.23 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 25.2 p80 -157.14 159.02 31.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.503 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.71 -72.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.95 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.602 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -62.2 155.96 62.45 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 111.86 3.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.11 47.54 9.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 98.9 m95 -149.36 138.84 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 mt -117.97 155.92 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 6.9 tt0 -117.82 99.93 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.88 178.81 16.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -118.19 131.77 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.788 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.99 114.66 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 60.28 63.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.88 31.56 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -135.01 136.29 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -116.02 145.23 43.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -167.76 -166.35 26.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.71 147.56 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' LEU . 32.5 mt -134.23 138.73 31.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.07 106.38 2.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -52.38 -22.18 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -89.38 19.26 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.75 18.03 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 47' ' ' LEU . 5.4 m -135.73 167.44 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 1.2 tt0 -146.97 87.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -38.89 135.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -139.93 166.45 24.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 154.35 47.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 120.79 35.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -57.15 128.63 37.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -78.66 -45.95 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.5 m-85 -128.88 146.07 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 130.71 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.35 139.22 49.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.4 149.35 50.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.3 p -111.44 135.56 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 11.2 p90 -162.65 177.41 9.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.4 p -118.98 148.6 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.32 130.71 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.68 -40.54 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -39.14 126.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.63 132.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CD2' HD11 ' A' ' 58' ' ' ILE . 89.6 m-85 -100.29 131.59 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.96 132.87 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 54.37 86.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 39' ' ' HIS . 48.4 t -104.89 151.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -168.47 159.99 8.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p -57.51 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -94.73 -14.7 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.55 156.56 62.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.43 5.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.36 45.44 90.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -141.77 123.6 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 40.9 mt -94.14 153.0 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.633 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 14.9 tt0 -128.05 99.92 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.7 -171.2 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 m -115.8 104.1 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.2 tp -98.95 130.34 45.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 10.0 p-10 39.53 60.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.96 30.91 16.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 51' ' ' LEU . 51.4 tttt -136.08 118.54 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.8 -167.99 29.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.54 142.77 27.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 35' ' ' PHE . 5.8 mt -132.74 140.05 36.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.98 114.45 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.13 -22.86 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.14 19.6 4.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.55 14.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.18 172.17 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 1.6 tt0 -150.49 84.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' A' ' 47' ' ' LEU . 32.8 m-85 -39.07 135.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -145.43 178.9 7.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.03 146.84 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -112.15 128.49 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 130.58 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 39.9 mt -80.19 -49.83 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.5 m-85 -128.11 149.89 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 131.68 47.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.86 151.9 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.76 160.02 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -124.22 126.13 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 7.8 p90 -150.23 -174.73 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -127.09 150.24 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.73 136.49 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.69 31.04 16.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.414 ' CG2' HD12 ' A' ' 51' ' ' LEU . 2.6 m -113.08 118.97 36.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 110.387 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -86.09 128.94 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 93.8 m-85 -100.13 117.55 34.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.91 130.21 38.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.5 85.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.24 132.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -150.91 161.14 30.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.641 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -53.81 -70.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER 167.15 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.39 165.66 22.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.03 61.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -144.8 133.85 22.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 63' ' ' VAL . 8.3 mt -112.31 165.88 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 tt0 -130.17 93.67 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.1 -178.85 15.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -107.9 156.52 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 29' ' ' PHE . 8.3 tp -129.34 -65.24 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -129.21 76.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.27 25.96 34.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -142.13 141.05 32.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.5 m -115.89 150.19 37.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.57 -162.6 26.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 44.3 mt -86.28 148.19 25.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LEU . 73.4 mt -139.43 139.31 22.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.98 109.2 2.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -56.17 -22.64 30.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -88.55 18.07 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -139.09 11.34 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 47' ' ' LEU . 6.2 m -130.51 167.33 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -146.62 88.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -40.34 131.45 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 132.52 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m 66.44 96.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.95 -107.37 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.45 156.26 31.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 0.734 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -55.7 145.96 22.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.78 176.67 41.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 t -116.22 146.93 38.33 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.69 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.96 179.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -118.56 164.56 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -131.92 154.69 48.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.14 155.6 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.1 ttpp -117.59 132.99 56.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.97 126.5 29.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 mt -74.77 -49.4 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 15.2 m-85 -125.36 153.5 43.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.67 41.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 4.1 t -121.54 138.56 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -106.61 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.55 136.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -111.59 -19.52 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 150.47 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.0 -55.61 30.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -46.98 -43.53 19.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.54 162.3 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.9 mt -122.48 149.45 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.6 p -112.87 135.26 53.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.9 p90 -157.93 175.98 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.3 p -114.29 144.96 42.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.95 135.34 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 -12.05 69.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -62.95 125.49 24.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.48 127.93 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 86.8 m-85 -95.93 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.62 144.13 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 40.24 79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 63.2 t -97.23 130.27 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.02 167.0 15.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -64.61 172.17 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -64.36 -29.94 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -79.13 152.23 76.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.62 34.71 88.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -137.66 123.94 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 73.2 mt -95.92 145.27 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 13.9 tt0 -119.0 97.86 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.88 -168.41 14.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -126.22 105.24 8.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -99.9 103.68 15.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 59.66 74.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.37 40.3 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -145.75 119.63 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -101.33 140.09 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -164.79 -167.48 25.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 86.8 mt -94.2 137.87 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 9.0 mt -130.69 140.69 39.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.77 -22.04 66.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -89.38 18.73 4.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.48 11.7 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 47' ' ' LEU . 4.9 m -129.69 167.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.0 tt0 -149.9 89.47 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' CZ ' HD11 ' A' ' 47' ' ' LEU . 53.7 m-85 -41.34 135.11 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 130.96 46.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 t -130.67 -55.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.28 159.67 32.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.9 9.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.48 -58.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.94 170.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 41.1 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -113.13 140.44 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 112.57 0.46 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.58 74.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -147.03 135.09 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.72 -127.39 9.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.5 p -82.36 159.57 64.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.29 6.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 54.3 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 161.16 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -130.44 158.58 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.02 153.6 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.89 130.95 55.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . . . -69.99 130.96 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 47.9 mt -82.27 -43.5 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.47 142.56 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 134.1 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -133.1 134.54 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -95.73 111.11 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 28' ' ' SER . . . -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 178.86 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -62.79 178.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -2.85 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -145.33 37.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -114.92 169.81 8.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 mt -126.51 151.54 47.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 60.5 p -118.21 132.47 56.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 15' ' ' ALA . 18.0 p90 -153.66 179.53 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.6 p -124.08 146.61 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.26 127.18 4.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 -39.76 2.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -43.69 140.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.364 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.61 134.3 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 92.0 m-85 -95.92 150.51 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.25 142.29 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 43.29 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 54.2 t -95.86 144.96 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -160.94 164.72 18.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -59.78 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -83.16 -19.0 37.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 6.2 mp0 -86.51 155.22 56.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 37.06 92.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -137.37 120.35 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 65' ' ' PHE . 73.9 mt -92.88 149.98 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.7 tt0 -121.68 99.29 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.73 -167.82 13.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -127.02 114.8 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -113.44 105.94 13.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' GLY . 96.1 m-20 59.59 75.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.54 39.24 0.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.02 127.65 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.6 m -111.14 143.22 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.84 -166.8 28.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 73.5 mt -91.47 143.41 26.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 35' ' ' PHE . 27.7 mt -134.06 140.05 35.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 115.51 4.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.45 -22.24 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.65 17.72 5.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.55 12.11 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.78 169.99 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.25 88.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' A' ' 47' ' ' LEU . 51.8 m-85 -40.03 133.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 77.99 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.6 p -102.12 151.63 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.28 157.95 26.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.86 40.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -51.51 109.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.1 p -148.92 98.57 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -58.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 163.64 23.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.22 122.7 2.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p 44.33 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.723 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -143.04 -63.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.07 -97.87 0.25 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -72.71 158.65 86.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 63.86 6.01 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 58.5 177.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -104.62 155.69 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -131.13 159.42 37.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.77 153.41 48.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -116.73 133.08 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.37 -45.17 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.67 145.58 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 129.56 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -123.56 151.57 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.81 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.07 88.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -104.65 18.09 22.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -116.54 -174.81 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -91.9 -34.95 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.15 58.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -129.27 173.87 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -126.65 158.61 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -121.62 138.02 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.5 p90 -163.0 174.8 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -115.6 147.97 40.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.91 129.16 5.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.65 -24.01 28.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -54.88 126.85 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.75 125.14 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 76.0 m-85 -92.02 150.81 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.97 144.68 26.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 40.72 83.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.6 t -100.23 134.75 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.63 167.23 13.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 116.14 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -64.92 -173.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -29.89 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -79.34 153.53 76.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 128.19 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.84 33.92 81.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 96.0 m95 -135.84 129.51 32.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 69.2 mt -101.55 146.17 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 12.0 tt0 -118.76 97.5 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.98 -171.99 15.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.6 m -120.7 116.74 25.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -114.51 103.83 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.87 71.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.98 40.18 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -147.35 122.35 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.35 146.77 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.76 -169.81 32.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 68.7 mt -92.97 140.04 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 15.0 mt -131.94 139.11 34.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 116.33 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 5.3 tt0 -60.65 -22.43 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -88.86 18.46 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -140.3 12.28 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 47' ' ' LEU . 6.6 m -130.88 169.58 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.43 89.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' A' ' 47' ' ' LEU . 49.7 m-85 -41.62 134.93 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.34 175.22 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 t 59.6 167.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.71 176.57 20.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.91 14.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -108.89 157.67 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.1 -58.55 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -44.33 -58.61 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -111.93 120.67 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.96 -123.84 1.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -151.5 137.97 18.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.803 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -80.27 121.6 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.21 22.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.4 p -125.45 158.04 65.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.17 4.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.76 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -140.67 174.69 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.86 171.57 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -133.65 170.1 16.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.64 150.7 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.26 130.89 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -66.47 128.57 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 63.8 mt -76.24 -47.34 24.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 16.6 m-85 -131.33 146.33 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 132.7 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -132.16 150.93 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.254 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -115.05 125.24 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.88 178.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 176.24 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 18.2 t-80 -79.16 -1.88 38.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 m-20 83.93 -64.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -58.34 -38.45 77.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.41 167.63 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 157.11 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -116.7 128.03 54.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 18.8 p90 -153.42 173.74 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.7 p -117.44 146.67 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.01 127.4 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.65 -32.61 6.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -46.59 131.83 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 t -103.15 128.32 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CE2' HG12 ' A' ' 63' ' ' VAL . 80.7 m-85 -95.04 141.87 28.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 41.02 85.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 61.3 t -102.28 142.78 15.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.85 165.8 17.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.576 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.508 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.7 t -61.38 -178.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -27.23 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -74.21 157.59 86.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.17 45.27 88.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' SER . 91.4 m95 -140.15 119.14 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 65' ' ' PHE . 77.9 mt -89.27 144.74 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.3 tt0 -118.17 102.17 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.48 -169.78 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -122.83 112.65 18.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.54 100.36 9.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 61.31 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.68 40.59 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -147.98 118.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -99.37 139.57 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.35 -172.12 29.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 64.7 mt -91.06 140.72 29.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 9.2 mt -132.25 140.75 38.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.8 -22.03 66.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -90.26 20.01 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.64 15.9 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG12 ' CE2' ' A' ' 35' ' ' PHE . 15.6 m -132.64 174.34 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 1.3 tt0 -154.9 86.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 47' ' ' LEU . 47.4 m-85 -38.97 131.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.32 -62.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.12 153.67 28.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.51 -170.21 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.21 90.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.7 m -52.8 133.75 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.22 163.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -142.01 -56.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.15 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -160.55 107.01 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -114.77 138.4 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.42 173.69 25.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.54 163.07 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.73 3.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 51.4 m-85 57.97 162.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.87 173.37 6.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -132.53 174.96 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.12 143.28 17.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -109.31 135.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.31 130.71 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 64' ' ' GLU . 65.1 mt -79.12 -43.8 23.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 18.1 m-85 -133.08 148.62 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 130.95 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.01 147.21 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.16 115.3 23.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.6 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.81 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' HD1' ' N ' ' A' ' 24' ' ' ASP . 17.0 t-80 -63.2 -86.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.53 ' N ' ' HD1' ' A' ' 23' ' ' HIS . 9.4 t70 -179.41 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -72.73 -34.8 67.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -53.54 165.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 56' ' ' GLY . 26.6 mt -121.95 159.7 26.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -121.82 136.85 54.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p90 -162.32 -172.1 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.9 p -129.71 150.86 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.13 134.18 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.93 62.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 m -66.32 121.7 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -96.74 124.14 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 81.9 m-85 -92.41 131.42 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.87 138.2 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 8.5 t-20 52.31 87.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.07 149.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 3.6 p80 -163.11 165.21 15.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.06 3.47 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -62.0 -167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' CD ' ' OE2' ' A' ' 43' ' ' GLU . 1.5 pp0? -89.01 -26.77 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 42' ' ' GLN . 1.6 mp0 -71.51 156.63 91.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.78 3.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.52 46.0 34.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -141.81 123.07 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 86.7 mt -90.87 152.96 20.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 13.0 tt0 -127.02 100.57 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.81 -176.14 14.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -110.26 138.8 46.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 0.0 110.437 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.59 -66.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.24 55.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.94 -4.97 63.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.68 138.09 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -114.33 146.59 40.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.13 -163.7 25.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 92.4 mt -94.22 138.65 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 6.3 mt -130.1 140.71 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.03 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.22 -22.39 66.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -89.67 19.66 4.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.01 12.58 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 47' ' ' LEU . 17.0 m -130.85 173.26 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CB ' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -154.39 88.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 47' ' ' LEU . 46.7 m-85 -40.32 135.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.74 140.75 30.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.03 131.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.65 -145.44 16.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -122.85 131.53 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m -152.37 115.16 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.35 131.52 41.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -68.67 135.4 51.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.27 167.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 64.39 161.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -99.97 115.62 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.051 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.77 173.48 32.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.7 p -117.87 155.37 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.734 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.14 6.07 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 98.3 m-85 -155.86 -178.76 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -103.52 162.15 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -138.6 159.39 42.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.7 156.0 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -119.2 129.5 55.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.98 126.46 28.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.25 -42.76 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 31.1 m-85 -131.19 159.97 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 127.58 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 2.5 t -124.11 137.66 54.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -110.38 78.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.7 175.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -156.5 -44.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -58.27 155.43 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.0 68.33 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t 179.21 -48.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.9 159.54 8.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 mt -114.18 146.64 40.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -111.47 133.79 53.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.4 p90 -159.43 -172.1 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 p -125.91 156.04 40.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 130.57 36.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.81 -11.33 59.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 121.44 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.6 t -91.55 131.41 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 83.8 m-85 -100.21 137.95 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.42 142.65 28.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 43.45 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.12 146.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -165.35 159.75 14.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -74.99 112.8 3.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.42 -155.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -90.7 -26.53 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -81.52 147.25 59.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.12 8.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.11 21.39 70.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.9 m95 -129.98 126.59 38.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 65' ' ' PHE . 60.0 mt -100.16 157.39 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.626 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 12.7 tt0 -128.24 99.68 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.52 -174.76 15.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.2 m -117.27 111.95 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -111.51 102.17 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.08 74.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.57 36.86 0.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -142.01 120.97 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -104.16 140.92 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.41 -170.2 31.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.35 145.65 25.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 35.3 mt -135.71 140.7 34.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.0 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 3.5 tt0 -58.68 -21.96 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -89.19 18.27 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -140.24 12.15 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 47' ' ' LEU . 4.7 m -130.29 170.99 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -152.72 89.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 47' ' ' LEU . 56.2 m-85 -42.0 137.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.24 167.02 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 p -170.44 160.29 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.039 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.96 152.23 18.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -159.01 137.23 10.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.02 152.32 20.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.79 115.72 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 p -101.13 140.86 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.28 -134.43 12.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -176.36 114.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -46.92 -60.97 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.31 166.83 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.492 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 18.5 m -100.91 144.47 28.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.95 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 97.5 m-85 -44.02 168.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -91.29 166.6 12.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -137.45 146.82 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 153.25 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.68 132.04 56.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.78 129.35 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt -81.48 -49.85 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.0 m-85 -119.45 162.77 18.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.51 133.78 34.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -131.59 150.19 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -111.17 48.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' N ' ' HG ' ' A' ' 28' ' ' SER . . . 40.32 89.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -10.15 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.603 ' CE1' ' OG ' ' A' ' 25' ' ' SER . 4.8 t-160 -145.63 135.66 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.633 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' HIS . 68.1 m-20 -37.44 -64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.603 ' OG ' ' CE1' ' A' ' 23' ' ' HIS . 17.1 m -42.31 -47.32 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' HIS . 72.9 mt-10 -59.54 159.57 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.12 166.82 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.617 ' HG ' ' N ' ' A' ' 21' ' ' ALA . 3.0 m -116.79 151.84 35.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -173.14 -178.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.1 p -124.67 146.3 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.94 137.51 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.59 17.38 56.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -97.63 116.35 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.14 131.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 95.4 m-85 -100.78 135.38 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.3 129.16 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.602 ' OD1' ' CD1' ' A' ' 10' ' ' PHE . 7.1 t-20 61.89 86.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 39' ' ' HIS . 72.0 t -112.17 142.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' N ' HG13 ' A' ' 38' ' ' VAL . 1.5 p80 -157.94 166.33 16.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -67.4 -178.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -73.2 -32.98 65.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.24 152.71 90.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 33.68 87.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -135.24 121.92 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 65' ' ' PHE . 85.2 mt -93.66 154.18 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 3.3 tt0 -125.75 104.17 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.86 -172.65 13.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.0 m -115.04 144.01 44.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.2 tp -115.42 -65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.28 84.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.3 24.37 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -141.25 127.78 20.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -107.08 143.5 35.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.03 -166.24 26.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 79.0 mt -87.46 143.57 27.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 17.6 mt -133.67 141.33 39.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 121.4 6.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.12 -22.5 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -88.4 17.27 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.86 10.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 47' ' ' LEU . 12.9 m -129.79 171.08 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -152.44 86.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 47' ' ' LEU . 49.8 m-85 -38.56 135.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.58 144.72 31.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 t 60.04 159.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.68 -168.89 41.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.98 5.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.9 t -135.49 87.7 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -175.55 -58.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 p -143.83 102.82 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -52.53 147.83 7.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 148.85 19.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -139.86 84.97 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.6 -49.8 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.47 134.94 52.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 p -104.72 105.35 50.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.364 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.73 4.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.0 p90 178.56 -177.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -121.1 177.42 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.79 -172.23 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.77 144.21 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -109.67 134.4 52.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -72.27 128.72 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -76.43 -49.13 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.8 m-85 -126.06 159.14 33.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 130.16 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.55 149.53 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.74 109.59 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.72 169.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -146.52 -45.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -70.58 -81.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.8 t70 176.56 -54.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -59.75 -31.4 69.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.8 165.81 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.4 mt -119.67 152.98 36.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -122.73 135.06 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 5.2 p90 -159.16 -174.56 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -122.4 148.59 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.25 136.22 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.49 38.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -102.86 122.52 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 t -89.52 136.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 94.9 m-85 -106.42 123.04 47.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.57 142.53 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 44.47 88.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 39' ' ' HIS . 63.3 t -106.41 153.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -174.24 159.29 2.74 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.549 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.3 p -56.36 -162.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.42 -22.37 28.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -80.36 146.01 60.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' CA ' ' OE2' ' A' ' 60' ' ' GLU . . . 84.24 32.24 23.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.6 m95 -139.51 129.13 24.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' ILE . 21.6 mt -98.86 158.4 15.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.613 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 8.3 tt0 -132.33 103.53 6.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.36 -170.25 12.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.6 m -117.2 139.12 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -142.53 110.95 6.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 54.17 63.15 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.34 39.37 9.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -144.16 119.45 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 m -104.73 144.29 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.87 -167.77 30.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.3 147.5 25.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 0.725 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' LEU . 53.1 mt -137.01 140.05 30.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.0 Cg_endo -75.01 105.52 2.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' OE2' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -53.73 -20.29 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 3.2 p-10 -89.58 16.66 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -138.2 15.1 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.78 172.17 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -153.12 87.56 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -37.92 135.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -177.02 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 p 173.99 137.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.85 158.53 14.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 76.28 3.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.64 114.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.47 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -141.06 156.5 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 106.1 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 130.93 7.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -132.47 80.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -127.62 159.25 35.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' OG1' ' A' ' 8' ' ' THR . . . -158.28 155.65 26.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 7' ' ' GLY . 3.1 p 56.39 162.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 60.79 5.55 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.451 1.764 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 58.61 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -95.57 162.94 13.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -135.16 153.25 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -130.84 150.53 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.24 127.41 54.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -66.06 122.26 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 50.3 mt -70.4 -49.48 48.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 7.0 m-85 -125.94 149.73 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 130.68 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.546 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -128.23 132.77 48.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 108.281 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -101.5 88.06 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.88 177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -163.39 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.06 149.58 49.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.59 69.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 t 179.58 -48.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.63 161.9 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mt -118.07 146.69 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -105.21 131.09 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 12.4 p90 -156.45 174.05 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p -115.83 146.89 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.09 129.97 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.5 23.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -52.95 125.96 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.355 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.98 125.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD1' HD12 ' A' ' 58' ' ' ILE . 75.3 m-85 -94.79 152.0 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.58 145.47 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 40.02 84.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' CB ' ' A' ' 13' ' ' ALA . 57.9 t -98.04 136.94 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -155.91 160.0 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.55 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.02 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -56.44 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -88.68 -14.4 37.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 152.85 45.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 126.07 9.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.57 33.75 85.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -135.86 123.89 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' ILE . 60.7 mt -97.67 152.34 19.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 16.0 tt0 -125.01 97.66 5.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.87 -175.45 19.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -120.62 102.29 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.1 tp -97.39 100.44 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.34 75.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.87 37.85 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 ttpm? -142.17 120.03 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -100.38 139.73 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.61 -173.94 32.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.54 142.34 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 24.1 mt -133.37 140.39 36.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -57.86 -22.38 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -89.31 19.31 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.8 15.0 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 m -130.83 168.19 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 2.4 tt0 -148.32 88.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -40.26 137.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.23 69.91 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.61 159.61 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.03 114.77 2.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 65.81 6.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.5 112.58 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -88.57 140.17 29.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -92.67 -58.87 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -76.48 161.9 28.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.69 -89.71 1.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m 53.43 82.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -141.02 112.15 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 176.96 21.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.4 163.02 18.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 69.8 m-85 -44.98 170.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -84.56 162.14 19.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -138.04 146.69 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.61 152.01 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -113.52 132.16 55.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -68.29 129.78 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -79.42 -49.5 12.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.9 m-85 -126.92 149.72 49.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 127.89 34.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -127.15 135.41 50.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 108.263 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 108.83 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.27 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.47 -40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -55.74 -79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.15 -38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 t -85.92 -30.07 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 66.2 mm-40 -64.89 161.42 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.2 163.06 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 p -123.48 136.87 54.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 p90 -161.69 -173.92 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.5 p -125.24 154.72 41.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 136.32 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.71 19.62 47.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 117.5 34.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.11 126.2 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 88.8 m-85 -95.62 128.69 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.59 136.52 35.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' OD1' ' CG ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 55.09 87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.52 148.67 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.71 166.4 10.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.03 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 8.3 t -66.96 -160.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -92.47 -18.95 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -88.18 151.01 48.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.53 5.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.44 55.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 90.9 m95 -132.92 130.02 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 66.1 mt -100.54 161.0 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.41 98.84 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.92 -175.86 14.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.402 ' OG1' ' OG1' ' A' ' 55' ' ' THR . 87.6 m -110.76 152.82 26.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -119.75 -68.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -130.93 77.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.59 24.67 57.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -140.41 143.73 35.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' OG1' ' OG1' ' A' ' 50' ' ' THR . 39.3 m -120.44 143.9 48.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.53 -164.8 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 84.8 mt -89.01 144.16 26.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 41.9 mt -135.12 139.94 33.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.0 117.8 5.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -62.14 -23.14 66.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -88.14 18.1 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -139.02 10.69 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 47' ' ' LEU . 11.1 m -130.49 171.93 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.8 89.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 47' ' ' LEU . 58.3 m-85 -41.82 129.81 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 94.0 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.6 t -138.31 -53.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.063 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.4 130.81 10.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 77.7 3.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.0 p -154.93 106.12 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.05 115.42 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -125.21 144.32 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 0.806 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 58.15 88.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.21 -168.68 24.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -131.11 97.31 4.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.044 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -115.09 80.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -115.53 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.3 p -57.25 159.15 8.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.726 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 65.43 6.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 56.16 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.98 159.46 20.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.93 160.5 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -137.26 153.45 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.64 129.47 54.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -65.42 132.97 50.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 63.6 mt -82.5 -45.49 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 12.2 m-85 -130.88 145.92 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.22 127.85 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -126.58 133.84 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.272 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.78 111.01 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . -50.15 178.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -178.67 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -62.56 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -107.06 -7.86 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.14 33.93 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -110.69 167.75 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -124.57 149.29 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.2 p -117.53 134.34 54.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 10.9 p90 -158.12 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.0 p -124.87 146.52 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.81 123.67 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.52 -22.25 22.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 m -59.68 128.95 39.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.8 t -102.21 133.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 66.4 m-85 -100.64 152.58 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.25 144.61 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 40.22 84.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 13' ' ' ALA . 53.1 t -96.57 147.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -169.69 159.14 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.01 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 t -59.4 -151.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -99.05 -13.52 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -90.33 150.13 42.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.61 28.14 63.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 92.3 m95 -133.07 135.56 45.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' ILE . 23.6 mt -109.7 157.25 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 6.4 tt0 -127.34 105.54 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.41 177.03 16.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -111.18 108.77 18.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.33 99.41 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLY . 12.1 m-80 60.05 76.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.03 40.5 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -142.58 119.1 10.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 m -99.06 142.55 30.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.07 -174.41 38.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.96 152.23 22.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LEU . 66.3 mt -139.88 137.58 18.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.96 108.69 2.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.59 -23.29 10.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -88.34 18.89 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -142.42 21.16 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -136.87 169.55 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 2.8 tt0 -150.56 86.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -39.35 133.76 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.88 91.45 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.62 149.79 25.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.7 -169.71 12.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.24 5.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -75.53 142.71 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p -150.76 166.59 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.78 85.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.783 . . . . 0.0 110.037 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 130.45 42.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 100.47 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -159.02 143.19 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -119.31 144.97 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.77 112.64 4.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.499 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 17.5 m 61.71 144.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.387 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.98 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -75.02 -171.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.19 165.18 13.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -130.39 152.86 49.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.1 152.67 50.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.0 132.45 56.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -67.56 134.46 51.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.6 mt -84.05 -46.08 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 11.3 m-85 -130.9 140.94 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 129.92 44.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 1.7 t -125.39 134.97 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.19 104.48 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' ' 28' ' ' SER . . . -41.35 113.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -123.52 20.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -117.61 -164.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.1 -24.2 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 36.06 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mt-10 -109.79 173.38 6.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 20.7 mt -125.67 146.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 78.3 p -109.69 133.35 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 19.4 p90 -163.96 170.52 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -105.86 169.51 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.08 129.84 41.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.47 -19.92 38.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 51' ' ' LEU . 4.5 m -57.36 129.6 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.6 t -99.67 139.73 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 58' ' ' ILE . 87.7 m-85 -108.08 146.8 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.94 143.34 26.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.99 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.1 t -103.59 140.76 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.32 167.18 15.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.48 3.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -62.89 172.0 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.23 -22.09 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -85.46 152.14 57.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.78 10.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.68 33.59 84.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 92.4 m95 -136.0 121.96 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.8 mt -93.65 146.05 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.2 tt0 -116.91 99.18 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.57 -176.6 16.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 m -120.89 104.02 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 110.377 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 33' ' ' THR . 10.4 tp -101.1 127.23 47.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 51' ' ' LEU . 8.2 p30 41.76 67.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.89 25.69 0.68 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.8 ttpp -129.96 117.36 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 m -96.42 144.4 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 27' ' ' LEU . . . -168.83 -166.38 27.8 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 83.8 mt -95.86 140.97 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.531 HD11 ' CD1' ' A' ' 35' ' ' PHE . 14.7 mt -131.94 140.31 37.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.491 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 118.88 5.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.09 -23.43 66.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -88.52 19.38 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.61 16.27 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.36 171.25 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.59 88.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -38.4 136.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 169.22 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -178.9 147.54 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.01 157.1 23.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.93 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m 53.29 81.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.4 m 59.82 86.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p 45.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -94.71 158.5 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.98 142.44 1.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.2 118.31 14.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -44.64 -58.29 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.17 136.96 23.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.492 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 17.4 m -58.85 144.48 81.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.97 -159.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -76.71 -174.86 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.82 171.31 8.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.55 164.37 27.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.57 126.72 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 122.81 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.75 -49.58 51.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.0 m-85 -126.79 151.92 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 132.68 47.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -133.58 148.9 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 109.41 14.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.47 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -164.41 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.52 ' HD1' ' N ' ' A' ' 24' ' ' ASP . 12.9 t-80 -56.76 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.52 ' N ' ' HD1' ' A' ' 23' ' ' HIS . 1.8 t70 176.6 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -76.2 -31.72 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.963 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.75 168.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mt -126.04 163.22 23.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 p -123.63 129.66 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.24 171.79 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.8 p -110.26 145.44 37.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 137.74 2.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.91 -22.03 42.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -57.23 130.26 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 t -100.0 135.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.21 139.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.29 145.57 25.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 42.39 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 39' ' ' HIS . 63.2 t -103.94 158.8 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.9 p-80 -178.86 159.73 1.02 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.98 109.86 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.37 -163.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -18.48 31.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -85.58 147.69 47.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.18 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.77 28.46 62.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 91.3 m95 -134.16 133.68 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 65' ' ' PHE . 50.5 mt -105.45 154.76 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 tt0 -125.04 105.64 9.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.25 -176.8 14.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -114.26 140.21 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 0.806 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tp -143.72 109.55 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.52 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.63 40.03 1.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -145.96 141.46 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -120.81 147.42 45.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.03 -165.76 26.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 81.5 mt -97.65 144.77 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.431 ' CG2' ' HD2' ' A' ' 59' ' ' PRO . 9.5 mt -132.0 140.2 37.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.13 -22.37 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -89.18 18.98 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.76 12.88 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 58' ' ' ILE . 18.8 m -130.94 169.08 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -148.31 86.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 47' ' ' LEU . 39.7 m-85 -39.25 132.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.04 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.05 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.13 155.97 18.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.98 24.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 p 52.56 174.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.19 128.07 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -167.78 166.77 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.95 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -77.14 167.27 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.78 -117.47 10.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -159.5 127.06 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -39.47 -56.46 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.18 174.71 41.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HD2' ' A' ' 9' ' ' PRO . 4.9 t -92.4 147.15 33.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -159.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.565 1.824 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -65.56 -177.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.47 174.66 5.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -140.13 149.12 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.97 152.41 47.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -118.47 127.49 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.65 128.95 38.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.8 mt -77.54 -44.87 27.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.3 m-85 -129.61 152.59 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 133.95 47.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -137.04 152.26 49.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.97 116.41 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.27 137.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.92 24.99 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -143.0 -79.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 175.23 -57.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 t -61.96 -33.19 73.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.79 159.85 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 56' ' ' GLY . 11.5 mt -117.48 154.53 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -113.62 135.82 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -157.59 -176.81 6.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.8 p -122.46 146.31 47.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 133.17 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.37 -12.58 63.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -65.32 122.78 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 t -95.85 124.07 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CD1' HD11 ' A' ' 58' ' ' ILE . 87.5 m-85 -91.07 150.11 21.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASN . 1.2 m-20 -95.92 144.22 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER 39.84 88.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 39' ' ' HIS . 54.4 t -102.14 153.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -172.22 159.28 4.25 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.553 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.95 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.496 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -56.79 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -89.34 -13.41 37.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -90.99 153.63 44.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.33 11.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.13 37.09 94.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.586 1.178 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -138.05 124.76 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' ILE . 58.5 mt -99.93 147.08 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.623 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 9.4 tt0 -119.46 101.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.12 -175.37 15.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.8 m -119.07 116.56 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.58 105.51 11.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.1 m-80 61.08 73.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.42 37.81 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -143.03 121.7 12.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -103.62 143.91 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -167.79 -171.0 33.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.67 145.98 24.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' LEU . 35.0 mt -135.33 140.14 33.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.04 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -59.31 -22.12 60.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -88.81 17.84 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -139.78 11.83 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' A' ' 47' ' ' LEU . 16.0 m -130.44 166.74 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.89 90.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -41.42 137.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.53 109.76 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -91.29 129.16 37.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.03 174.43 51.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.17 41.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.35 90.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.59 91.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -131.42 -58.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.24 164.83 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -72.03 -121.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -67.31 73.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.007 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -90.6 91.09 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.27 162.14 11.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' OG1' ' HD2' ' A' ' 9' ' ' PRO . 6.3 t -54.31 145.97 34.16 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -159.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 78.7 m-85 -47.08 173.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 168.21 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -136.06 163.41 30.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.86 145.85 33.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -110.43 128.96 55.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -67.54 130.82 44.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -80.4 -49.53 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.0 m-85 -127.29 148.64 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 129.4 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.41 146.38 46.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.41 117.01 27.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.62 178.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.86 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -75.4 -82.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 25.9 t70 177.19 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -66.48 -37.0 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.2 160.07 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -114.04 158.95 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -124.93 132.72 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 6.0 p90 -160.42 -174.54 4.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -121.14 155.15 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.67 138.66 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.72 19.33 54.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -99.38 122.32 42.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.56 138.71 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 96.9 m-85 -110.07 129.96 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.68 144.97 34.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 10' ' ' PHE . 8.7 t-20 42.3 89.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.5 t -108.7 134.27 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.8 p80 -150.66 163.06 25.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 111.77 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 4.1 p -57.19 -161.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -90.46 -27.7 19.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.58 155.42 76.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.96 11.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.58 40.4 96.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -140.85 129.16 22.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' ILE . 48.5 mt -103.08 144.84 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 17.9 tt0 -117.3 97.84 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.58 -168.02 13.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -119.73 142.82 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -145.14 104.7 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 60.08 64.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.0 8.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.4 m -112.42 145.11 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.34 -166.66 29.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.33 142.68 27.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 24.3 mt -133.2 139.54 34.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.92 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.76 -22.38 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -87.91 16.58 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.59 9.94 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.7 171.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.9 89.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -38.62 137.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.68 96.22 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -130.15 -62.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.77 -166.34 54.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.26 31.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m 55.41 102.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -172.14 162.37 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -150.53 129.45 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -91.27 152.72 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.84 148.03 7.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -135.96 167.8 20.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.48 167.19 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.23 163.09 30.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.6 p -134.48 154.53 79.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.579 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.5 Cg_endo -74.96 55.86 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 9' ' ' PRO . 23.7 m-85 -147.53 -176.99 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.67 -176.55 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -146.06 159.79 42.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.12 145.91 31.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.3 ttpp -109.74 132.76 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -71.15 130.37 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 mt -79.17 -50.36 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 15.4 m-85 -125.13 153.98 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.25 127.38 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.72 44.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -123.9 109.53 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.43 143.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.49 10.45 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -133.1 -74.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.629 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER 170.29 -55.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -39.31 85.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.09 161.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 mt -113.82 144.67 42.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -111.22 125.61 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 15' ' ' ALA . 5.8 p90 -153.46 -172.22 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.7 p -124.52 153.27 42.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.3 139.77 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.1 65.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -93.28 120.44 33.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.07 135.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 97.1 m-85 -106.69 123.1 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.43 135.7 37.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' ND2' ' CE2' ' A' ' 10' ' ' PHE . 8.9 t-20 55.6 86.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.38 150.08 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.58 164.79 8.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 5.2 p -60.24 -160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -37.02 55.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.78 137.54 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.11 2.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.1 38.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -156.18 121.19 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 65' ' ' PHE . 50.8 mt -88.11 143.64 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 15.2 tt0 -117.67 100.49 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.11 -168.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -117.5 144.4 45.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 0.771 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.25 -69.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.35 76.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.37 19.28 39.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -135.91 136.0 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -111.07 146.4 36.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.97 -164.73 25.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.32 143.42 26.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 21.1 mt -133.71 137.9 29.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 105.67 2.13 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -53.94 -21.33 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -88.31 15.79 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.17 9.99 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 47' ' ' LEU . 8.7 m -129.84 168.96 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.7 tt0 -147.4 90.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 47' ' ' LEU . 51.0 m-85 -40.29 140.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.97 166.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.25 -66.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.68 -175.94 36.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -49.58 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -163.78 -57.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m 49.02 85.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 61.85 104.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -108.62 159.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.24 130.67 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.02 94.47 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.12 -57.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.79 174.87 17.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' HB ' ' CD2' ' A' ' 10' ' ' PHE . 22.2 p -131.18 157.44 78.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.3 Cg_endo -74.97 59.75 5.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 9' ' ' PRO . 21.4 m-85 -145.01 169.22 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -90.33 165.53 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -139.84 148.21 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.91 156.33 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.95 125.25 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -60.57 141.58 56.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.25 -46.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.73 150.94 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.75 160.83 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -150.68 147.56 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -128.03 80.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.24 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.91 -43.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 29.0 t60 -69.16 164.48 22.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.659 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 39.6 m-20 -84.75 69.97 10.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t 178.7 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -59.07 169.57 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -130.24 152.75 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -112.97 132.75 55.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 1.7 p90 -156.47 169.56 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.1 p -110.17 146.52 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.24 135.02 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.62 21.44 34.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -102.7 121.76 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 110.352 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.7 t -89.25 137.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.541 ' CE1' HD12 ' A' ' 58' ' ' ILE . 96.4 m-85 -100.3 -177.7 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.57 136.49 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 45.06 79.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.2 t -94.84 127.97 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 27.0 p80 -144.31 158.43 54.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.56 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.51 -15.53 39.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 7.5 mp0 -85.04 152.01 58.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.48 8.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 38.37 95.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -136.48 129.77 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 63' ' ' VAL . 33.6 mt -101.31 150.1 23.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 3.0 tt0 -121.41 92.51 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.04 -169.48 22.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.3 m -131.61 100.3 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.443 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -97.52 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.81 70.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 42.17 2.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -145.87 120.18 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.2 m -98.41 149.63 22.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.66 -169.75 34.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.88 137.99 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.541 HD12 ' CE1' ' A' ' 35' ' ' PHE . 12.8 mt -131.87 140.13 37.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 6.7 tt0 -63.12 -17.64 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.66 16.0 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.02 8.61 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 47' ' ' LEU . 4.8 m -126.42 167.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.91 89.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -41.66 132.12 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.84 172.78 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 p -140.71 162.0 36.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.34 169.68 14.44 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.11 6.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m 67.39 146.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m 63.2 84.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -153.1 90.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.726 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -137.18 -59.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.79 -77.49 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.46 122.93 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -152.14 -53.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.3 -133.8 12.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.502 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 21.1 m -95.86 144.37 27.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -77.01 -177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.5 165.27 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -127.04 165.41 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.16 151.7 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -114.41 129.89 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.63 124.14 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 53.6 mt -71.33 -47.4 56.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 13.1 m-85 -130.66 153.35 49.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.25 129.8 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -130.35 147.08 52.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -120.79 112.33 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . -50.09 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.369 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.72 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.466 ' HD1' ' N ' ' A' ' 24' ' ' ASP . 10.0 t-80 -62.28 -84.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.634 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' HD1' ' A' ' 23' ' ' HIS . 22.9 t0 178.18 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -70.31 -33.23 71.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.41 164.93 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 56' ' ' GLY . 11.8 mt -121.45 168.89 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 p -126.79 128.82 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -153.22 -179.11 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.3 p -124.25 147.74 47.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.81 135.99 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.37 11.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -48.62 126.58 12.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.1 t -101.31 114.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 58' ' ' ILE . 81.1 m-85 -79.3 158.04 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.83 141.9 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 44.82 87.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.7 t -100.68 135.23 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 25.2 p80 -157.14 159.02 31.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.503 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.71 -72.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.95 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.602 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -62.2 155.96 62.45 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 111.86 3.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.11 47.54 9.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 98.9 m95 -149.36 138.84 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 mt -117.97 155.92 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 6.9 tt0 -117.82 99.93 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.88 178.81 16.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -118.19 131.77 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.788 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.99 114.66 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 60.28 63.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.88 31.56 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -135.01 136.29 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -116.02 145.23 43.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -167.76 -166.35 26.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.71 147.56 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' LEU . 32.5 mt -134.23 138.73 31.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.07 106.38 2.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -52.38 -22.18 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -89.38 19.26 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.75 18.03 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 47' ' ' LEU . 5.4 m -135.73 167.44 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 1.2 tt0 -146.97 87.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -38.89 135.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.46 -178.99 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.32 175.79 41.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 68.37 5.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.3 88.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.42 127.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -163.99 -56.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 62.15 82.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.91 -175.46 41.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -113.67 -58.77 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 -58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.09 179.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.4 p -127.38 153.7 77.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.96 6.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 55.57 171.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.89 171.2 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -139.93 166.45 24.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.35 154.35 47.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 120.79 35.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -57.15 128.63 37.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -78.66 -45.95 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.5 m-85 -128.88 146.07 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 130.71 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.35 139.22 49.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -112.07 107.32 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.77 175.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.27 -42.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.511 ' HD1' ' N ' ' A' ' 24' ' ' ASP . 9.9 t-80 -56.78 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' N ' ' HD1' ' A' ' 23' ' ' HIS . 43.8 t0 178.88 -53.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -68.6 -36.89 79.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -51.1 171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.4 149.35 50.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.3 p -111.44 135.56 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 11.2 p90 -162.65 177.41 9.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.4 p -118.98 148.6 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.32 130.71 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.68 -40.54 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -39.14 126.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.63 132.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CD2' HD11 ' A' ' 58' ' ' ILE . 89.6 m-85 -100.29 131.59 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.96 132.87 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 54.37 86.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 39' ' ' HIS . 48.4 t -104.89 151.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -168.47 159.99 8.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p -57.51 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -94.73 -14.7 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.55 156.56 62.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.43 5.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.36 45.44 90.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -141.77 123.6 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 40.9 mt -94.14 153.0 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.633 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 14.9 tt0 -128.05 99.92 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.7 -171.2 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 m -115.8 104.1 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.2 tp -98.95 130.34 45.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 10.0 p-10 39.53 60.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.96 30.91 16.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 51' ' ' LEU . 51.4 tttt -136.08 118.54 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.8 -167.99 29.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.54 142.77 27.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 35' ' ' PHE . 5.8 mt -132.74 140.05 36.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HG2' ' CB ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.98 114.45 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.13 -22.86 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.14 19.6 4.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.55 14.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.18 172.17 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 1.6 tt0 -150.49 84.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CZ ' HD12 ' A' ' 47' ' ' LEU . 32.8 m-85 -39.07 135.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.93 137.06 40.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -165.07 163.94 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.28 157.45 26.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.25 13.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.07 109.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.74 -58.66 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t 54.66 104.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.25 139.12 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.4 63.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -148.08 -56.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 65.39 163.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -101.79 2.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.2 t -152.31 146.05 18.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -159.99 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -53.11 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -174.97 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -145.43 178.9 7.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.03 146.84 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -112.15 128.49 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 130.58 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 39.9 mt -80.19 -49.83 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.5 m-85 -128.11 149.89 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 131.68 47.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.86 151.9 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.21 160.2 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 93.7 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.22 22.58 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -131.85 -165.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.99 -12.17 16.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.17 41.24 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.23 164.07 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.76 160.02 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -124.22 126.13 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 7.8 p90 -150.23 -174.73 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -127.09 150.24 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.73 136.49 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.69 31.04 16.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 ' CG2' HD12 ' A' ' 51' ' ' LEU . 2.6 m -113.08 118.97 36.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 110.387 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -86.09 128.94 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 93.8 m-85 -100.13 117.55 34.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.91 130.21 38.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.5 85.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.24 132.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -150.91 161.14 30.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.641 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -53.81 -70.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER 167.15 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.39 165.66 22.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.03 61.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -144.8 133.85 22.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 63' ' ' VAL . 8.3 mt -112.31 165.88 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 tt0 -130.17 93.67 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.1 -178.85 15.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -107.9 156.52 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 29' ' ' PHE . 8.3 tp -129.34 -65.24 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -129.21 76.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.27 25.96 34.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -142.13 141.05 32.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.5 m -115.89 150.19 37.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.57 -162.6 26.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 44.3 mt -86.28 148.19 25.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LEU . 73.4 mt -139.43 139.31 22.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HG2' ' HB2' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.98 109.2 2.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -56.17 -22.64 30.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -88.55 18.07 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -139.09 11.34 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 47' ' ' LEU . 6.2 m -130.51 167.33 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -146.62 88.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -40.34 131.45 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 115.41 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.1 m -105.65 141.35 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.02 133.15 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -58.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.93 92.1 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.44 98.61 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -131.92 154.69 48.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -134.14 155.6 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.1 ttpp -117.59 132.99 56.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.97 126.5 29.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.742 HD21 ' HB2' ' A' ' 64' ' ' GLU . 57.0 mt -74.77 -49.4 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 15.2 m-85 -125.36 153.5 43.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.67 41.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 4.1 t -121.54 138.56 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.9 mt -122.48 149.45 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.6 p -112.87 135.26 53.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' THR . 8.9 p90 -157.93 175.98 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.3 p -114.29 144.96 42.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.95 135.34 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 -12.05 69.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 29' ' ' PHE . 1.7 m -62.95 125.49 24.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 37.5 t -96.48 127.93 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 86.8 m-85 -95.93 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.62 144.13 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 40.24 79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 63.2 t -97.23 130.27 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.02 167.0 15.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -64.61 172.17 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -64.36 -29.94 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -79.13 152.23 76.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.62 34.71 88.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -137.66 123.94 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 63' ' ' VAL . 73.2 mt -95.92 145.27 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 13.9 tt0 -119.0 97.86 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.88 -168.41 14.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -126.22 105.24 8.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -99.9 103.68 15.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 59.66 74.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.37 40.3 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -145.75 119.63 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -101.33 140.09 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -164.79 -167.48 25.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 86.8 mt -94.2 137.87 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.0 mt -130.69 140.69 39.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.77 -22.04 66.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -89.38 18.73 4.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.48 11.7 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 47' ' ' LEU . 4.9 m -129.69 167.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.742 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -149.9 89.47 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -41.34 135.11 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -130.44 158.58 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -136.02 153.6 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.89 130.95 55.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -69.99 130.96 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 64' ' ' GLU . 47.9 mt -82.27 -43.5 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.47 142.56 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 134.1 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -133.1 134.54 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HD11 ' A' ' 58' ' ' ILE . 49.6 mt -126.51 151.54 47.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -118.21 132.47 56.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 15' ' ' ALA . 18.0 p90 -153.66 179.53 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.6 p -124.08 146.61 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.26 127.18 4.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 -39.76 2.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -43.69 140.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.364 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 25.4 t -110.61 134.3 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 92.0 m-85 -95.92 150.51 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.25 142.29 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 43.29 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.2 t -95.86 144.96 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -160.94 164.72 18.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -59.78 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -83.16 -19.0 37.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 6.2 mp0 -86.51 155.22 56.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 37.06 92.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -137.37 120.35 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 73.9 mt -92.88 149.98 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.7 tt0 -121.68 99.29 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.73 -167.82 13.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -127.02 114.8 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -113.44 105.94 13.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' GLY . 96.1 m-20 59.59 75.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.54 39.24 0.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.02 127.65 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.6 m -111.14 143.22 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.54 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.84 -166.8 28.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 73.5 mt -91.47 143.41 26.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 59' ' ' PRO . 27.7 mt -134.06 140.05 35.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.97 115.51 4.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.1 tt0 -60.45 -22.24 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.65 17.72 5.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.55 12.11 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 16.2 m -130.78 169.99 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.741 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -151.25 88.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -40.03 133.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -131.13 159.42 37.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -138.77 153.41 48.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -116.73 133.08 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 64' ' ' GLU . 54.6 mt -76.37 -45.17 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.67 145.58 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 129.56 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -123.56 151.57 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 56' ' ' GLY . 17.2 mt -126.65 158.61 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -121.62 138.02 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.5 p90 -163.0 174.8 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -115.6 147.97 40.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.91 129.16 5.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.65 -24.01 28.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -54.88 126.85 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 40.3 t -99.75 125.14 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 76.0 m-85 -92.02 150.81 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.97 144.68 26.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 40.72 83.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.6 t -100.23 134.75 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.63 167.23 13.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 116.14 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -64.92 -173.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -29.89 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -79.34 153.53 76.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 128.19 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.84 33.92 81.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 96.0 m95 -135.84 129.51 32.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.997 HD12 HG21 ' A' ' 63' ' ' VAL . 69.2 mt -101.55 146.17 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 12.0 tt0 -118.76 97.5 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.98 -171.99 15.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.6 m -120.7 116.74 25.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -114.51 103.83 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.87 71.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.98 40.18 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -147.35 122.35 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.35 146.77 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.76 -169.81 32.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 68.7 mt -92.97 140.04 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 59' ' ' PRO . 15.0 mt -131.94 139.11 34.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.0 116.33 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 5.3 tt0 -60.65 -22.43 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -88.86 18.46 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -140.3 12.28 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 47' ' ' LEU . 6.6 m -130.88 169.58 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -149.43 89.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -41.62 134.93 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -133.65 170.1 16.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.452 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -148.64 150.7 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.26 130.89 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -66.47 128.57 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.8 mt -76.24 -47.34 24.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 16.6 m-85 -131.33 146.33 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 132.7 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -132.16 150.93 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.254 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 58' ' ' ILE . 13.2 mt -118.39 157.11 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -116.7 128.03 54.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 18.8 p90 -153.42 173.74 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.7 p -117.44 146.67 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.01 127.4 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.65 -32.61 6.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -46.59 131.83 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 7.6 t -103.15 128.32 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 80.7 m-85 -95.04 141.87 28.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 41.02 85.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.3 t -102.28 142.78 15.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.85 165.8 17.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.576 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.508 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.7 t -61.38 -178.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -27.23 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -74.21 157.59 86.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.17 45.27 88.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' SER . 91.4 m95 -140.15 119.14 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 63' ' ' VAL . 77.9 mt -89.27 144.74 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.3 tt0 -118.17 102.17 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.48 -169.78 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 75.4 m -122.83 112.65 18.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.54 100.36 9.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 61.31 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.68 40.59 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -147.98 118.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 19.6 m -99.37 139.57 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -162.35 -172.12 29.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 64.7 mt -91.06 140.72 29.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.2 mt -132.25 140.75 38.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.0 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.8 -22.03 66.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -90.26 20.01 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.64 15.9 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.052 HG21 HD12 ' A' ' 47' ' ' LEU . 15.6 m -132.64 174.34 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.793 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.3 tt0 -154.9 86.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -38.97 131.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -132.53 174.96 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -157.12 143.28 17.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -109.31 135.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -72.31 130.71 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -79.12 -43.8 23.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 18.1 m-85 -133.08 148.62 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 130.95 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.01 147.21 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 56' ' ' GLY . 26.6 mt -121.95 159.7 26.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -121.82 136.85 54.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p90 -162.32 -172.1 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.9 p -129.71 150.86 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.13 134.18 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.93 62.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 m -66.32 121.7 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 4.2 t -96.74 124.14 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 81.9 m-85 -92.41 131.42 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.87 138.2 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.31 87.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.7 t -110.07 149.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 3.6 p80 -163.11 165.21 15.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.06 3.47 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -62.0 -167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' CD ' ' OE2' ' A' ' 43' ' ' GLU . 1.5 pp0? -89.01 -26.77 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 42' ' ' GLN . 1.6 mp0 -71.51 156.63 91.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.78 3.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.52 46.0 34.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -141.81 123.07 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 63' ' ' VAL . 86.7 mt -90.87 152.96 20.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 13.0 tt0 -127.02 100.57 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 58' ' ' ILE . . . -137.81 -176.14 14.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 53' ' ' GLY . 88.0 m -110.26 138.8 46.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.59 -66.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.24 55.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 50' ' ' THR . . . 96.94 -4.97 63.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -113.68 138.09 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -114.33 146.59 40.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.13 -163.7 25.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 92.4 mt -94.22 138.65 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 59' ' ' PRO . 6.3 mt -130.1 140.71 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.03 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.7 tt0 -63.22 -22.39 66.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -89.67 19.66 4.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.01 12.58 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.059 HG21 HD12 ' A' ' 47' ' ' LEU . 17.0 m -130.85 173.26 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -154.39 88.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -40.32 135.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -138.6 159.39 42.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -135.7 156.0 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -119.2 129.5 55.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.98 126.46 28.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -75.25 -42.76 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 31.1 m-85 -131.19 159.97 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 127.58 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 2.5 t -124.11 137.66 54.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' CG1' ' A' ' 58' ' ' ILE . 22.7 mt -114.18 146.64 40.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 51' ' ' LEU . 2.8 m -111.47 133.79 53.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.4 p90 -159.43 -172.1 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 p -125.91 156.04 40.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 130.57 36.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.81 -11.33 59.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 121.44 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -91.55 131.41 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 83.8 m-85 -100.21 137.95 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.42 142.65 28.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.45 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 13' ' ' ALA . 55.1 t -105.12 146.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -165.35 159.75 14.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -74.99 112.8 3.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.42 -155.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -90.7 -26.53 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -81.52 147.25 59.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.12 8.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.11 21.39 70.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.9 m95 -129.98 126.59 38.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.955 HD12 HG21 ' A' ' 63' ' ' VAL . 60.0 mt -100.16 157.39 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.621 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 12.7 tt0 -128.24 99.68 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.52 -174.76 15.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.2 m -117.27 111.95 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 28' ' ' SER . 11.5 tp -111.51 102.17 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.08 74.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.57 36.86 0.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -142.01 120.97 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -104.16 140.92 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.515 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.41 -170.2 31.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.35 145.65 25.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.605 ' CG1' HD12 ' A' ' 27' ' ' LEU . 35.3 mt -135.71 140.7 34.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 3.5 tt0 -58.68 -21.96 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -89.19 18.27 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -140.24 12.15 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.955 HG21 HD12 ' A' ' 47' ' ' LEU . 4.7 m -130.29 170.99 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.688 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -152.72 89.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -42.0 137.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -137.45 146.82 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -127.06 153.25 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -116.68 132.04 56.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . . . -71.78 129.35 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 64' ' ' GLU . 40.8 mt -81.48 -49.85 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.0 m-85 -119.45 162.77 18.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.51 133.78 34.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -131.59 150.19 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' N ' ' A' ' 56' ' ' GLY . 1.4 mt -108.12 166.82 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.0 m -116.79 151.84 35.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -173.14 -178.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.1 p -124.67 146.3 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.94 137.51 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.59 17.38 56.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -97.63 116.35 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.14 131.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 95.4 m-85 -100.78 135.38 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.3 129.16 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.89 86.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 13' ' ' ALA . 72.0 t -112.17 142.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -157.94 166.33 16.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -67.4 -178.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -73.2 -32.98 65.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.24 152.71 90.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 33.68 87.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -135.24 121.92 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.026 HD12 HG21 ' A' ' 63' ' ' VAL . 85.2 mt -93.66 154.18 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 3.3 tt0 -125.75 104.17 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.86 -172.65 13.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.0 m -115.04 144.01 44.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.2 tp -115.42 -65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.28 84.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.3 24.37 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -141.25 127.78 20.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -107.08 143.5 35.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.673 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.03 -166.24 26.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 79.0 mt -87.46 143.57 27.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 59' ' ' PRO . 17.6 mt -133.67 141.33 39.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 121.4 6.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.1 tt0 -66.12 -22.5 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -88.4 17.27 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.86 10.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.026 HG21 HD12 ' A' ' 47' ' ' LEU . 12.9 m -129.79 171.08 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.6 tt0 -152.44 86.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -38.56 135.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.79 -172.23 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -169.77 144.21 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.5 ttpp -109.67 134.4 52.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -72.27 128.72 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 64' ' ' GLU . 44.2 mt -76.43 -49.13 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.8 m-85 -126.06 159.14 33.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 130.16 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.55 149.53 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD12 ' CG1' ' A' ' 58' ' ' ILE . 62.4 mt -119.67 152.98 36.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -122.73 135.06 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.2 p90 -159.16 -174.56 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -122.4 148.59 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.25 136.22 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.49 38.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -102.86 122.52 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 66' ' ' LEU . 2.8 t -89.52 136.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.9 m-85 -106.42 123.04 47.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.57 142.53 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 44.47 88.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 13' ' ' ALA . 63.3 t -106.41 153.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -174.24 159.29 2.74 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.3 p -56.36 -162.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.42 -22.37 28.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -80.36 146.01 60.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' CA ' ' OE2' ' A' ' 60' ' ' GLU . . . 84.24 32.24 23.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.6 m95 -139.51 129.13 24.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.92 HD12 HG21 ' A' ' 63' ' ' VAL . 21.6 mt -98.86 158.4 15.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 8.3 tt0 -132.33 103.53 6.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.36 -170.25 12.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.6 m -117.2 139.12 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -142.53 110.95 6.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 54.17 63.15 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.34 39.37 9.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -144.16 119.45 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 m -104.73 144.29 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.87 -167.77 30.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.3 147.5 25.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 0.725 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 27' ' ' LEU . 53.1 mt -137.01 140.05 30.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.0 Cg_endo -75.01 105.52 2.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' OE2' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -53.73 -20.29 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 3.2 p-10 -89.58 16.66 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -138.2 15.1 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.92 HG21 HD12 ' A' ' 47' ' ' LEU . 29.9 m -129.78 172.17 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -153.12 87.56 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -37.92 135.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.597 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -135.16 153.25 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -130.84 150.53 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.24 127.41 54.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.06 122.26 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 64' ' ' GLU . 50.3 mt -70.4 -49.48 48.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 7.0 m-85 -125.94 149.73 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 130.68 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -128.23 132.77 48.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 108.281 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.3 mt -118.07 146.69 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -105.21 131.09 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -156.45 174.05 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p -115.83 146.89 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.09 129.97 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.5 23.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -52.95 125.96 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.355 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 21.7 t -100.98 125.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -94.79 152.0 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.58 145.47 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 40.02 84.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 13' ' ' ALA . 57.9 t -98.04 136.94 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.648 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -155.91 160.0 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.55 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.02 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -56.44 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -88.68 -14.4 37.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 152.85 45.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 126.07 9.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.57 33.75 85.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -135.86 123.89 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.91 HD12 HG21 ' A' ' 63' ' ' VAL . 60.7 mt -97.67 152.34 19.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.648 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 16.0 tt0 -125.01 97.66 5.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.87 -175.45 19.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -120.62 102.29 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.1 tp -97.39 100.44 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.34 75.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.87 37.85 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 ttpm? -142.17 120.03 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -100.38 139.73 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -163.61 -173.94 32.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.54 142.34 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.1 mt -133.37 140.39 36.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.4 tt0 -57.86 -22.38 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -89.31 19.31 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.8 15.0 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.91 HG21 HD12 ' A' ' 47' ' ' LEU . 22.2 m -130.83 168.19 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.859 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.32 88.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -40.26 137.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -138.04 146.69 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.61 152.01 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -113.52 132.16 55.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -68.29 129.78 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 64' ' ' GLU . 46.5 mt -79.42 -49.5 12.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.9 m-85 -126.92 149.72 49.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 127.89 34.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -127.15 135.41 50.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 108.263 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 66.2 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.5 mt -114.2 163.06 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 p -123.48 136.87 54.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 p90 -161.69 -173.92 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.5 p -125.24 154.72 41.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 136.32 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.71 19.62 47.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 117.5 34.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 HD11 ' A' ' 66' ' ' LEU . 11.6 t -88.11 126.2 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 88.8 m-85 -95.62 128.69 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.59 136.52 35.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.09 87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.52 148.67 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.71 166.4 10.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.03 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 8.3 t -66.96 -160.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -92.47 -18.95 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -88.18 151.01 48.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.53 5.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.44 55.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 90.9 m95 -132.92 130.02 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 63' ' ' VAL . 66.1 mt -100.54 161.0 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.41 98.84 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.92 -175.86 14.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.6 m -110.76 152.82 26.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -119.75 -68.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -130.93 77.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.59 24.67 57.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 50' ' ' THR . 3.0 ttpt -140.41 143.73 35.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.3 m -120.44 143.9 48.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.53 -164.8 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 84.8 mt -89.01 144.16 26.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 41.9 mt -135.12 139.94 33.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 117.8 5.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -62.14 -23.14 66.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -88.14 18.1 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -139.02 10.69 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 47' ' ' LEU . 11.1 m -130.49 171.93 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.1 tt0 -152.8 89.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -41.82 129.81 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.93 160.5 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -137.26 153.45 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.64 129.47 54.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.42 132.97 50.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.6 mt -82.5 -45.49 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 12.2 m-85 -130.88 145.92 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.22 127.85 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -126.58 133.84 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.272 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 58' ' ' ILE . 63.5 mt -124.57 149.29 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.2 p -117.53 134.34 54.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 10.9 p90 -158.12 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.0 p -124.87 146.52 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.81 123.67 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.52 -22.25 22.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 m -59.68 128.95 39.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 52.8 t -102.21 133.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 66.4 m-85 -100.64 152.58 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.25 144.61 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 40.22 84.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 13' ' ' ALA . 53.1 t -96.57 147.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -169.69 159.14 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.611 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.01 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 t -59.4 -151.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -99.05 -13.52 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -90.33 150.13 42.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.61 28.14 63.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 92.3 m95 -133.07 135.56 45.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.934 HD12 HG21 ' A' ' 63' ' ' VAL . 23.6 mt -109.7 157.25 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 6.4 tt0 -127.34 105.54 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.41 177.03 16.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -111.18 108.77 18.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.33 99.41 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLY . 12.1 m-80 60.05 76.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.03 40.5 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -142.58 119.1 10.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 m -99.06 142.55 30.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.07 -174.41 38.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.96 152.23 22.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 59' ' ' PRO . 66.3 mt -139.88 137.58 18.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.96 108.69 2.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.59 -23.29 10.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -88.34 18.89 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -142.42 21.16 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 47' ' ' LEU . 12.5 m -136.87 169.55 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.853 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.8 tt0 -150.56 86.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -39.35 133.76 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -130.39 152.86 49.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -131.1 152.67 50.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -119.0 132.45 56.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.56 134.46 51.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 64' ' ' GLU . 70.6 mt -84.05 -46.08 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 11.3 m-85 -130.9 140.94 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 129.92 44.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 1.7 t -125.39 134.97 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD21 ' HA3' ' A' ' 56' ' ' GLY . 20.7 mt -125.67 146.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -109.69 133.35 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -163.96 170.52 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -105.86 169.51 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.08 129.84 41.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.47 -19.92 38.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 m -57.36 129.6 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -99.67 139.73 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 51' ' ' LEU . 87.7 m-85 -108.08 146.8 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.94 143.34 26.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.99 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.1 t -103.59 140.76 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.32 167.18 15.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.48 3.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -62.89 172.0 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.23 -22.09 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -85.46 152.14 57.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.78 10.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.68 33.59 84.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 92.4 m95 -136.0 121.96 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 63' ' ' VAL . 86.8 mt -93.65 146.05 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.2 tt0 -116.91 99.18 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.57 -176.6 16.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 m -120.89 104.02 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 110.377 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 35' ' ' PHE . 10.4 tp -101.1 127.23 47.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 51' ' ' LEU . 8.2 p30 41.76 67.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.89 25.69 0.68 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.8 ttpp -129.96 117.36 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 m -96.42 144.4 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.571 ' HA3' HD21 ' A' ' 27' ' ' LEU . . . -168.83 -166.38 27.8 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 83.8 mt -95.86 140.97 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 59' ' ' PRO . 14.7 mt -131.94 140.31 37.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 118.88 5.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.7 tt0 -62.09 -23.43 66.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -88.52 19.38 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.61 16.27 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 47' ' ' LEU . 18.0 m -132.36 171.25 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.73 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -153.59 88.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -38.4 136.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.55 164.37 27.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.57 126.72 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.56 122.81 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 64' ' ' GLU . 52.2 mt -69.75 -49.58 51.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.0 m-85 -126.79 151.92 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 132.68 47.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -133.58 148.9 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.4 mt -126.04 163.22 23.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 p -123.63 129.66 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.24 171.79 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.8 p -110.26 145.44 37.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 137.74 2.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.91 -22.03 42.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -57.23 130.26 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 15.3 t -100.0 135.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.21 139.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.29 145.57 25.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 42.39 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.94 158.8 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.9 p-80 -178.86 159.73 1.02 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.98 109.86 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.37 -163.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -18.48 31.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -85.58 147.69 47.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.18 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.77 28.46 62.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 91.3 m95 -134.16 133.68 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 63' ' ' VAL . 50.5 mt -105.45 154.76 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 tt0 -125.04 105.64 9.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.25 -176.8 14.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -114.26 140.21 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 0.806 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tp -143.72 109.55 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.52 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.63 40.03 1.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -145.96 141.46 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -120.81 147.42 45.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.48 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.03 -165.76 26.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 81.5 mt -97.65 144.77 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.5 mt -132.0 140.2 37.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.2 tt0 -57.13 -22.37 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -89.18 18.98 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.76 12.88 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.031 HG21 HD12 ' A' ' 47' ' ' LEU . 18.8 m -130.94 169.08 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.31 86.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -39.25 132.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -140.13 149.12 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.97 152.41 47.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -118.47 127.49 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.65 128.95 38.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.8 mt -77.54 -44.87 27.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.3 m-85 -129.61 152.59 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 133.95 47.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -137.04 152.26 49.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.5 mt -117.48 154.53 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -113.62 135.82 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -157.59 -176.81 6.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.8 p -122.46 146.31 47.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 133.17 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.37 -12.58 63.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -65.32 122.78 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 27.1 t -95.85 124.07 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.07 150.11 21.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASN . 1.2 m-20 -95.92 144.22 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER 39.84 88.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.4 t -102.14 153.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -172.22 159.28 4.25 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.553 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.95 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -56.79 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -89.34 -13.41 37.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -90.99 153.63 44.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.33 11.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.13 37.09 94.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.586 1.178 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -138.05 124.76 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.009 HD12 HG21 ' A' ' 63' ' ' VAL . 58.5 mt -99.93 147.08 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.617 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 9.4 tt0 -119.46 101.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.12 -175.37 15.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.8 m -119.07 116.56 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.58 105.51 11.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.1 m-80 61.08 73.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.42 37.81 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -143.03 121.7 12.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -103.62 143.91 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.592 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.79 -171.0 33.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.67 145.98 24.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.588 HG23 ' HD2' ' A' ' 59' ' ' PRO . 35.0 mt -135.33 140.14 33.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.04 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 8.8 tt0 -59.31 -22.12 60.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -88.81 17.84 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -139.78 11.83 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.009 HG21 HD12 ' A' ' 47' ' ' LEU . 16.0 m -130.44 166.74 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.808 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -146.89 90.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -41.42 137.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -136.06 163.41 30.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -142.86 145.85 33.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.1 ttpp -110.43 128.96 55.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -67.54 130.82 44.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -80.4 -49.53 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.0 m-85 -127.29 148.64 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 129.4 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.41 146.38 46.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 56' ' ' GLY . 92.3 mt -114.04 158.95 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -124.93 132.72 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 6.0 p90 -160.42 -174.54 4.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -121.14 155.15 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.67 138.66 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.72 19.33 54.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -99.38 122.32 42.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 66' ' ' LEU . 3.0 t -88.56 138.71 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 96.9 m-85 -110.07 129.96 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.68 144.97 34.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 42.3 89.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.5 t -108.7 134.27 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.8 p80 -150.66 163.06 25.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 111.77 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 4.1 p -57.19 -161.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -90.46 -27.7 19.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.58 155.42 76.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.96 11.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.58 40.4 96.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -140.85 129.16 22.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.017 HD12 HG21 ' A' ' 63' ' ' VAL . 48.5 mt -103.08 144.84 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 17.9 tt0 -117.3 97.84 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' THR . . . -122.58 -168.02 13.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -119.73 142.82 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -145.14 104.7 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 60.08 64.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.0 8.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 49' ' ' GLY . 16.4 m -112.42 145.11 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -170.34 -166.66 29.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.33 142.68 27.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.3 mt -133.2 139.54 34.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.92 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -60.76 -22.38 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -87.91 16.58 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.59 9.94 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.017 HG21 HD12 ' A' ' 47' ' ' LEU . 16.8 m -129.7 171.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.9 89.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -38.62 137.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -146.06 159.79 42.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -145.12 145.91 31.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.3 ttpp -109.74 132.76 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -71.15 130.37 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -79.17 -50.36 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 15.4 m-85 -125.13 153.98 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.25 127.38 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.72 44.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 tttp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 mt -113.82 144.67 42.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -111.22 125.61 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.8 p90 -153.46 -172.22 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.7 p -124.52 153.27 42.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.3 139.77 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.1 65.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -93.28 120.44 33.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.07 135.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 97.1 m-85 -106.69 123.1 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.43 135.7 37.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 55.6 86.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 13' ' ' ALA . 41.6 t -111.38 150.08 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.58 164.79 8.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 5.2 p -60.24 -160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -37.02 55.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.78 137.54 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.11 2.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.1 38.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -156.18 121.19 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 HG21 ' A' ' 63' ' ' VAL . 50.8 mt -88.11 143.64 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 15.2 tt0 -117.67 100.49 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.11 -168.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -117.5 144.4 45.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 0.771 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.25 -69.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.35 76.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.37 19.28 39.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -135.91 136.0 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -111.07 146.4 36.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.97 -164.73 25.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.32 143.42 26.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 21.1 mt -133.71 137.9 29.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -74.99 105.67 2.13 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -53.94 -21.33 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -88.31 15.79 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.17 9.99 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.961 HG21 HD12 ' A' ' 47' ' ' LEU . 8.7 m -129.84 168.96 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -147.4 90.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -40.29 140.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -139.84 148.21 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.91 156.33 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -120.95 125.25 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 141.58 56.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 64' ' ' GLU . 82.7 mt -93.25 -46.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.73 150.94 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.75 160.83 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -150.68 147.56 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 56' ' ' GLY . 5.0 mt -130.24 152.75 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -112.97 132.75 55.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 1.7 p90 -156.47 169.56 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.1 p -110.17 146.52 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.24 135.02 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.62 21.44 34.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -102.7 121.76 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 110.352 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.7 t -89.25 137.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.3 -177.7 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.57 136.49 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 45.06 79.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 13' ' ' ALA . 77.2 t -94.84 127.97 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 33.4 p-80 -144.31 158.43 54.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.56 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.51 -15.53 39.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 7.5 mp0 -85.04 152.01 58.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.48 8.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 38.37 95.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -136.48 129.77 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.87 HD12 HG21 ' A' ' 63' ' ' VAL . 33.6 mt -101.31 150.1 23.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 3.0 tt0 -121.41 92.51 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -107.04 -169.48 22.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.3 m -131.61 100.3 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.443 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -97.52 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.81 70.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 42.17 2.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -145.87 120.18 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' GLY . 47.2 m -98.41 149.63 22.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.66 -169.75 34.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.88 137.99 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.555 HG23 ' HD2' ' A' ' 59' ' ' PRO . 12.8 mt -131.87 140.13 37.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 6.7 tt0 -63.12 -17.64 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.66 16.0 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.02 8.61 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 47' ' ' LEU . 4.8 m -126.42 167.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -144.91 89.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -41.66 132.12 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -127.04 165.41 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 38' ' ' VAL . . . -144.16 151.7 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -114.41 129.89 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.63 124.14 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.6 mt -71.33 -47.4 56.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 13.1 m-85 -130.66 153.35 49.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.25 129.8 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -130.35 147.08 52.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.8 mt -121.45 168.89 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 p -126.79 128.82 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -153.22 -179.11 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.3 p -124.25 147.74 47.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.81 135.99 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.37 11.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -48.62 126.58 12.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 24.1 t -101.31 114.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -79.3 158.04 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.83 141.9 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 44.82 87.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' CB ' ' A' ' 13' ' ' ALA . 70.7 t -100.68 135.23 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 23.6 p-80 -157.14 159.02 31.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.504 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.71 -72.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.95 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.602 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -62.2 155.96 62.45 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 111.86 3.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.11 47.54 9.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 98.9 m95 -149.36 138.84 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 63' ' ' VAL . 6.8 mt -117.97 155.92 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 6.9 tt0 -117.82 99.93 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.88 178.81 16.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -118.19 131.77 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.788 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.99 114.66 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 60.28 63.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.88 31.56 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -135.01 136.29 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -116.02 145.23 43.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.76 -166.35 26.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.71 147.56 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 59' ' ' PRO . 32.5 mt -134.23 138.73 31.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.07 106.38 2.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -52.38 -22.18 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -89.38 19.26 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.75 18.03 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.725 HG21 HD12 ' A' ' 47' ' ' LEU . 5.4 m -135.73 167.44 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.868 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.2 tt0 -146.97 87.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -38.89 135.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -139.93 166.45 24.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -139.35 154.35 47.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 120.79 35.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -57.15 128.63 37.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -78.66 -45.95 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.5 m-85 -128.88 146.07 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 130.71 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.35 139.22 49.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD11 ' N ' ' A' ' 56' ' ' GLY . 12.7 mt -128.4 149.35 50.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.3 p -111.44 135.56 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 11.2 p90 -162.65 177.41 9.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.4 p -118.98 148.6 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.32 130.71 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.68 -40.54 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -39.14 126.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.63 132.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE2' HD22 ' A' ' 51' ' ' LEU . 89.6 m-85 -100.29 131.59 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.96 132.87 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 54.37 86.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 13' ' ' ALA . 48.4 t -104.89 151.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.645 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -168.47 159.99 8.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p -57.51 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -94.73 -14.7 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.55 156.56 62.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.43 5.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.36 45.44 90.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -141.77 123.6 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 40.9 mt -94.14 153.0 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.645 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 14.9 tt0 -128.05 99.92 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.7 -171.2 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 m -115.8 104.1 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.916 HD12 ' N ' ' A' ' 52' ' ' ASN . 1.2 tp -98.95 130.34 45.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.916 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.0 p-10 39.53 60.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.96 30.91 16.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 51' ' ' LEU . 51.4 tttt -136.08 118.54 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.565 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.8 -167.99 29.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.54 142.77 27.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 59' ' ' PRO . 5.8 mt -132.74 140.05 36.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.98 114.45 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 63' ' ' VAL . 10.9 tt0 -58.13 -22.86 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.14 19.6 4.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.55 14.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 27.6 m -128.18 172.17 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.787 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.6 tt0 -150.49 84.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -39.07 135.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -145.43 178.9 7.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -164.03 146.84 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -112.15 128.49 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -66.94 130.58 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 64' ' ' GLU . 39.9 mt -80.19 -49.83 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.5 m-85 -128.11 149.89 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 131.68 47.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.86 151.9 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 HD12 ' CG1' ' A' ' 58' ' ' ILE . 8.6 mt -113.76 160.02 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -124.22 126.13 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' HB3' HD22 ' A' ' 51' ' ' LEU . 7.8 p90 -150.23 -174.73 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -127.09 150.24 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.73 136.49 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.69 31.04 16.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.576 ' CG2' HD13 ' A' ' 51' ' ' LEU . 2.6 m -113.08 118.97 36.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 110.387 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -86.09 128.94 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 93.8 m-85 -100.13 117.55 34.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.91 130.21 38.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 64.5 85.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 13' ' ' ALA . 58.9 t -111.24 132.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -150.91 161.14 30.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.641 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -53.81 -70.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER 167.15 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.39 165.66 22.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.03 61.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -144.8 133.85 22.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.743 HD12 HG21 ' A' ' 63' ' ' VAL . 8.3 mt -112.31 165.88 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.611 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 20.1 tt0 -130.17 93.67 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.1 -178.85 15.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 84.9 m -107.9 156.52 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 29' ' ' PHE . 8.3 tp -129.34 -65.24 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -129.21 76.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.27 25.96 34.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -142.13 141.05 32.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 79.5 m -115.89 150.19 37.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.57 -162.6 26.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 44.3 mt -86.28 148.19 25.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 73.4 mt -139.43 139.31 22.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.98 109.2 2.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 4.7 tt0 -56.17 -22.64 30.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -88.55 18.07 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -139.09 11.34 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.743 HG21 HD12 ' A' ' 47' ' ' LEU . 6.2 m -130.51 167.33 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -146.62 88.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -40.34 131.45 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 132.52 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m 66.44 96.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.95 -107.37 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.45 156.26 31.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 0.734 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -55.7 145.96 22.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.78 176.67 41.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 t -116.22 146.93 38.33 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.69 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.96 179.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -118.56 164.56 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -131.92 154.69 48.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -134.14 155.6 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.1 ttpp -117.59 132.99 56.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.97 126.5 29.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.742 HD21 ' HB2' ' A' ' 64' ' ' GLU . 57.0 mt -74.77 -49.4 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 15.2 m-85 -125.36 153.5 43.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.67 41.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 4.1 t -121.54 138.56 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -106.61 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -40.55 136.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -111.59 -19.52 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 150.47 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.0 -55.61 30.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -46.98 -43.53 19.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.54 162.3 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.9 mt -122.48 149.45 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.6 p -112.87 135.26 53.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' THR . 8.9 p90 -157.93 175.98 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.3 p -114.29 144.96 42.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.95 135.34 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 -12.05 69.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 29' ' ' PHE . 1.7 m -62.95 125.49 24.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 37.5 t -96.48 127.93 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 86.8 m-85 -95.93 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.62 144.13 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 40.24 79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 63.2 t -97.23 130.27 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.02 167.0 15.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -64.61 172.17 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -64.36 -29.94 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -79.13 152.23 76.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.62 34.71 88.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -137.66 123.94 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 63' ' ' VAL . 73.2 mt -95.92 145.27 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 13.9 tt0 -119.0 97.86 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.88 -168.41 14.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -126.22 105.24 8.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -99.9 103.68 15.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 59.66 74.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.37 40.3 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -145.75 119.63 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -101.33 140.09 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -164.79 -167.48 25.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 86.8 mt -94.2 137.87 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.0 mt -130.69 140.69 39.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.77 -22.04 66.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -89.38 18.73 4.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.48 11.7 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 47' ' ' LEU . 4.9 m -129.69 167.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.742 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -149.9 89.47 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -41.34 135.11 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 130.96 46.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 t -130.67 -55.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.28 159.67 32.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.9 9.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.48 -58.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.94 170.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 41.1 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -113.13 140.44 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 112.57 0.46 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.58 74.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -147.03 135.09 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.72 -127.39 9.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.5 p -82.36 159.57 64.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.29 6.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 54.3 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 161.16 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -130.44 158.58 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -136.02 153.6 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.89 130.95 55.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -69.99 130.96 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 64' ' ' GLU . 47.9 mt -82.27 -43.5 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.47 142.56 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 134.1 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -133.1 134.54 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -95.73 111.11 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 28' ' ' SER . . . -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 178.86 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -62.79 178.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -2.85 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -145.33 37.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -114.92 169.81 8.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HD11 ' A' ' 58' ' ' ILE . 49.6 mt -126.51 151.54 47.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 60.5 p -118.21 132.47 56.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 15' ' ' ALA . 18.0 p90 -153.66 179.53 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.6 p -124.08 146.61 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.26 127.18 4.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 -39.76 2.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -43.69 140.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.364 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 25.4 t -110.61 134.3 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 92.0 m-85 -95.92 150.51 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.25 142.29 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 43.29 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.2 t -95.86 144.96 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -160.94 164.72 18.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -59.78 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -83.16 -19.0 37.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 6.2 mp0 -86.51 155.22 56.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 37.06 92.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -137.37 120.35 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 73.9 mt -92.88 149.98 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.7 tt0 -121.68 99.29 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.73 -167.82 13.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -127.02 114.8 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -113.44 105.94 13.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' GLY . 96.1 m-20 59.59 75.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.54 39.24 0.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.02 127.65 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.6 m -111.14 143.22 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.54 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.84 -166.8 28.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 73.5 mt -91.47 143.41 26.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 59' ' ' PRO . 27.7 mt -134.06 140.05 35.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.97 115.51 4.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.1 tt0 -60.45 -22.24 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.65 17.72 5.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.55 12.11 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 16.2 m -130.78 169.99 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.741 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -151.25 88.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -40.03 133.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 77.99 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.6 p -102.12 151.63 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.28 157.95 26.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.86 40.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -51.51 109.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.1 p -148.92 98.57 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -58.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 163.64 23.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.22 122.7 2.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p 44.33 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.723 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -143.04 -63.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.07 -97.87 0.25 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -72.71 158.65 86.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 63.86 6.01 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 58.5 177.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -104.62 155.69 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -131.13 159.42 37.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -138.77 153.41 48.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -116.73 133.08 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 64' ' ' GLU . 54.6 mt -76.37 -45.17 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.67 145.58 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 129.56 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -123.56 151.57 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.81 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.07 88.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -104.65 18.09 22.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -116.54 -174.81 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -91.9 -34.95 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.15 58.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -129.27 173.87 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 56' ' ' GLY . 17.2 mt -126.65 158.61 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -121.62 138.02 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.5 p90 -163.0 174.8 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -115.6 147.97 40.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.91 129.16 5.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.65 -24.01 28.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -54.88 126.85 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 40.3 t -99.75 125.14 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 76.0 m-85 -92.02 150.81 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.97 144.68 26.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 40.72 83.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.6 t -100.23 134.75 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.63 167.23 13.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 116.14 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -64.92 -173.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -29.89 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -79.34 153.53 76.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 128.19 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.84 33.92 81.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 96.0 m95 -135.84 129.51 32.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.997 HD12 HG21 ' A' ' 63' ' ' VAL . 69.2 mt -101.55 146.17 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 12.0 tt0 -118.76 97.5 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.98 -171.99 15.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.6 m -120.7 116.74 25.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -114.51 103.83 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.87 71.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.98 40.18 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -147.35 122.35 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.35 146.77 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.76 -169.81 32.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 68.7 mt -92.97 140.04 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 59' ' ' PRO . 15.0 mt -131.94 139.11 34.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.0 116.33 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 5.3 tt0 -60.65 -22.43 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -88.86 18.46 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -140.3 12.28 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 47' ' ' LEU . 6.6 m -130.88 169.58 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -149.43 89.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -41.62 134.93 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.34 175.22 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 t 59.6 167.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.71 176.57 20.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.91 14.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -108.89 157.67 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.1 -58.55 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -44.33 -58.61 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -111.93 120.67 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.96 -123.84 1.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -151.5 137.97 18.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.803 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -80.27 121.6 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.21 22.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.4 p -125.45 158.04 65.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.17 4.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.76 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -140.67 174.69 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.86 171.57 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -133.65 170.1 16.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -148.64 150.7 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.26 130.89 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -66.47 128.57 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.8 mt -76.24 -47.34 24.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 16.6 m-85 -131.33 146.33 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 132.7 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -132.16 150.93 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.254 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -115.05 125.24 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.88 178.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 176.24 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 18.2 t-80 -79.16 -1.88 38.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 m-20 83.93 -64.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -58.34 -38.45 77.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.41 167.63 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 58' ' ' ILE . 13.2 mt -118.39 157.11 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -116.7 128.03 54.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 18.8 p90 -153.42 173.74 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.7 p -117.44 146.67 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.01 127.4 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.65 -32.61 6.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -46.59 131.83 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 7.6 t -103.15 128.32 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 80.7 m-85 -95.04 141.87 28.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 41.02 85.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.3 t -102.28 142.78 15.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.85 165.8 17.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.576 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.508 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.7 t -61.38 -178.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -27.23 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -74.21 157.59 86.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.17 45.27 88.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' SER . 91.4 m95 -140.15 119.14 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 63' ' ' VAL . 77.9 mt -89.27 144.74 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.3 tt0 -118.17 102.17 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.48 -169.78 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.427 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 75.4 m -122.83 112.65 18.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.54 100.36 9.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 61.31 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.68 40.59 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -147.98 118.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 19.6 m -99.37 139.57 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -162.35 -172.12 29.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 64.7 mt -91.06 140.72 29.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.2 mt -132.25 140.75 38.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.0 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.8 -22.03 66.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -90.26 20.01 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.64 15.9 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.052 HG21 HD12 ' A' ' 47' ' ' LEU . 15.6 m -132.64 174.34 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.793 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.3 tt0 -154.9 86.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -38.97 131.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.32 -62.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.12 153.67 28.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.51 -170.21 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.21 90.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.7 m -52.8 133.75 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.22 163.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -142.01 -56.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.15 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -160.55 107.01 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -114.77 138.4 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.42 173.69 25.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.54 163.07 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.73 3.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 51.4 m-85 57.97 162.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.87 173.37 6.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -132.53 174.96 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -157.12 143.28 17.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -109.31 135.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -72.31 130.71 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -79.12 -43.8 23.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 18.1 m-85 -133.08 148.62 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 130.95 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.01 147.21 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.16 115.3 23.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.6 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.81 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -63.2 -86.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -179.41 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -72.73 -34.8 67.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -53.54 165.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 56' ' ' GLY . 26.6 mt -121.95 159.7 26.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -121.82 136.85 54.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p90 -162.32 -172.1 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.9 p -129.71 150.86 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.13 134.18 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.93 62.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 m -66.32 121.7 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 4.2 t -96.74 124.14 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 81.9 m-85 -92.41 131.42 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.87 138.2 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 8.5 t-20 52.31 87.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.7 t -110.07 149.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 3.6 p80 -163.11 165.21 15.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.06 3.47 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -62.0 -167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' CD ' ' OE2' ' A' ' 43' ' ' GLU . 1.5 pp0? -89.01 -26.77 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 42' ' ' GLN . 1.6 mp0 -71.51 156.63 91.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.78 3.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.52 46.0 34.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -141.81 123.07 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 63' ' ' VAL . 86.7 mt -90.87 152.96 20.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 13.0 tt0 -127.02 100.57 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 58' ' ' ILE . . . -137.81 -176.14 14.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 53' ' ' GLY . 88.0 m -110.26 138.8 46.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.59 -66.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.24 55.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 50' ' ' THR . . . 96.94 -4.97 63.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -113.68 138.09 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -114.33 146.59 40.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.13 -163.7 25.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 92.4 mt -94.22 138.65 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 59' ' ' PRO . 6.3 mt -130.1 140.71 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.03 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.7 tt0 -63.22 -22.39 66.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -89.67 19.66 4.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.01 12.58 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.059 HG21 HD12 ' A' ' 47' ' ' LEU . 17.0 m -130.85 173.26 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -154.39 88.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -40.32 135.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.74 140.75 30.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.03 131.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.65 -145.44 16.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -122.85 131.53 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m -152.37 115.16 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.35 131.52 41.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -68.67 135.4 51.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.27 167.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 64.39 161.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -99.97 115.62 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.051 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.77 173.48 32.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.7 p -117.87 155.37 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.734 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.14 6.07 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 98.3 m-85 -155.86 -178.76 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -103.52 162.15 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -138.6 159.39 42.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -135.7 156.0 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -119.2 129.5 55.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.98 126.46 28.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -75.25 -42.76 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 31.1 m-85 -131.19 159.97 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 127.58 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 2.5 t -124.11 137.66 54.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -110.38 78.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.7 175.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -156.5 -44.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -58.27 155.43 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.0 68.33 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t 179.21 -48.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.9 159.54 8.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' CG1' ' A' ' 58' ' ' ILE . 22.7 mt -114.18 146.64 40.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 51' ' ' LEU . 2.8 m -111.47 133.79 53.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.4 p90 -159.43 -172.1 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 p -125.91 156.04 40.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 130.57 36.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.81 -11.33 59.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 121.44 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -91.55 131.41 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 83.8 m-85 -100.21 137.95 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.42 142.65 28.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 43.45 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 13' ' ' ALA . 55.1 t -105.12 146.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -165.35 159.75 14.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -74.99 112.8 3.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.42 -155.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -90.7 -26.53 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -81.52 147.25 59.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.12 8.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.11 21.39 70.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.9 m95 -129.98 126.59 38.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.955 HD12 HG21 ' A' ' 63' ' ' VAL . 60.0 mt -100.16 157.39 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.621 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 12.7 tt0 -128.24 99.68 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.52 -174.76 15.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.2 m -117.27 111.95 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 28' ' ' SER . 11.5 tp -111.51 102.17 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.08 74.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.57 36.86 0.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -142.01 120.97 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -104.16 140.92 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.515 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.41 -170.2 31.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.35 145.65 25.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.605 ' CG1' HD12 ' A' ' 27' ' ' LEU . 35.3 mt -135.71 140.7 34.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 3.5 tt0 -58.68 -21.96 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -89.19 18.27 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -140.24 12.15 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.955 HG21 HD12 ' A' ' 47' ' ' LEU . 4.7 m -130.29 170.99 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.688 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -152.72 89.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -42.0 137.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.24 167.02 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 p -170.44 160.29 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.039 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.96 152.23 18.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -159.01 137.23 10.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.02 152.32 20.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.79 115.72 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 p -101.13 140.86 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.28 -134.43 12.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -176.36 114.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -46.92 -60.97 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.31 166.83 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' HD2' ' A' ' 9' ' ' PRO . 18.5 m -100.91 144.47 28.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.95 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 97.5 m-85 -44.02 168.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -91.29 166.6 12.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -137.45 146.82 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -127.06 153.25 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -116.68 132.04 56.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . . . -71.78 129.35 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 64' ' ' GLU . 40.8 mt -81.48 -49.85 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.0 m-85 -119.45 162.77 18.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.51 133.78 34.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -131.59 150.19 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -111.17 48.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.32 89.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -10.15 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' SER . 1.8 t60 -145.63 135.66 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.633 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' HIS . 68.1 m-20 -37.44 -64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 17.1 m -42.31 -47.32 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' HIS . 72.9 mt-10 -59.54 159.57 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' N ' ' A' ' 56' ' ' GLY . 1.4 mt -108.12 166.82 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.0 m -116.79 151.84 35.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -173.14 -178.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.1 p -124.67 146.3 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.94 137.51 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.59 17.38 56.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -97.63 116.35 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.14 131.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 95.4 m-85 -100.78 135.38 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.3 129.16 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.602 ' OD1' ' CD1' ' A' ' 10' ' ' PHE . 7.1 t-20 61.89 86.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 13' ' ' ALA . 72.0 t -112.17 142.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -157.94 166.33 16.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -67.4 -178.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -73.2 -32.98 65.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.24 152.71 90.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 33.68 87.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -135.24 121.92 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.026 HD12 HG21 ' A' ' 63' ' ' VAL . 85.2 mt -93.66 154.18 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 3.3 tt0 -125.75 104.17 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.86 -172.65 13.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.0 m -115.04 144.01 44.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.2 tp -115.42 -65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.28 84.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.3 24.37 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -141.25 127.78 20.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -107.08 143.5 35.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.673 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.03 -166.24 26.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 79.0 mt -87.46 143.57 27.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 59' ' ' PRO . 17.6 mt -133.67 141.33 39.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 121.4 6.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.1 tt0 -66.12 -22.5 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -88.4 17.27 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.86 10.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.026 HG21 HD12 ' A' ' 47' ' ' LEU . 12.9 m -129.79 171.08 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.6 tt0 -152.44 86.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -38.56 135.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -104.58 144.72 31.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 t 60.04 159.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.68 -168.89 41.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.98 5.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.9 t -135.49 87.7 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -175.55 -58.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 p -143.83 102.82 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -52.53 147.83 7.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 148.85 19.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -139.86 84.97 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.6 -49.8 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.47 134.94 52.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 p -104.72 105.35 50.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.364 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.73 4.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.0 p90 178.56 -177.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -121.1 177.42 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.79 -172.23 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -169.77 144.21 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.5 ttpp -109.67 134.4 52.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -72.27 128.72 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 64' ' ' GLU . 44.2 mt -76.43 -49.13 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.8 m-85 -126.06 159.14 33.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 130.16 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.55 149.53 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.74 109.59 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.72 169.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -146.52 -45.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -70.58 -81.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.8 t70 176.56 -54.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -59.75 -31.4 69.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.8 165.81 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD12 ' CG1' ' A' ' 58' ' ' ILE . 62.4 mt -119.67 152.98 36.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -122.73 135.06 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.2 p90 -159.16 -174.56 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -122.4 148.59 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.25 136.22 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.49 38.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -102.86 122.52 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 66' ' ' LEU . 2.8 t -89.52 136.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.9 m-85 -106.42 123.04 47.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.57 142.53 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 44.47 88.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 13' ' ' ALA . 63.3 t -106.41 153.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -174.24 159.29 2.74 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.3 p -56.36 -162.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.42 -22.37 28.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -80.36 146.01 60.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' CA ' ' OE2' ' A' ' 60' ' ' GLU . . . 84.24 32.24 23.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.6 m95 -139.51 129.13 24.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.92 HD12 HG21 ' A' ' 63' ' ' VAL . 21.6 mt -98.86 158.4 15.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 8.3 tt0 -132.33 103.53 6.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.36 -170.25 12.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.6 m -117.2 139.12 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -142.53 110.95 6.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 54.17 63.15 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.34 39.37 9.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -144.16 119.45 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 m -104.73 144.29 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.87 -167.77 30.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.3 147.5 25.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 0.725 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 27' ' ' LEU . 53.1 mt -137.01 140.05 30.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.0 Cg_endo -75.01 105.52 2.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' OE2' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -53.73 -20.29 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 3.2 p-10 -89.58 16.66 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -138.2 15.1 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.92 HG21 HD12 ' A' ' 47' ' ' LEU . 29.9 m -129.78 172.17 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -153.12 87.56 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -37.92 135.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.597 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -99.91 -177.02 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 p 173.99 137.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.85 158.53 14.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 76.28 3.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.64 114.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.47 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -141.06 156.5 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 106.1 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 130.93 7.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -132.47 80.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -127.62 159.25 35.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 8' ' ' THR . . . -158.28 155.65 26.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 7' ' ' GLY . 3.1 p 56.39 162.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 60.79 5.55 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.451 1.764 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 58.61 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -95.57 162.94 13.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -135.16 153.25 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -130.84 150.53 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.24 127.41 54.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.06 122.26 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 64' ' ' GLU . 50.3 mt -70.4 -49.48 48.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 7.0 m-85 -125.94 149.73 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 130.68 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -128.23 132.77 48.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 108.281 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -101.5 88.06 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.88 177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -163.39 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.06 149.58 49.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.59 69.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 t 179.58 -48.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.63 161.9 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.3 mt -118.07 146.69 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -105.21 131.09 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -156.45 174.05 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p -115.83 146.89 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.09 129.97 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.5 23.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -52.95 125.96 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.355 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 21.7 t -100.98 125.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -94.79 152.0 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.58 145.47 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 40.02 84.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 13' ' ' ALA . 57.9 t -98.04 136.94 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.648 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -155.91 160.0 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.55 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.02 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -56.44 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -88.68 -14.4 37.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 152.85 45.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 126.07 9.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.57 33.75 85.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -135.86 123.89 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.91 HD12 HG21 ' A' ' 63' ' ' VAL . 60.7 mt -97.67 152.34 19.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.648 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 16.0 tt0 -125.01 97.66 5.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.87 -175.45 19.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -120.62 102.29 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.1 tp -97.39 100.44 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.34 75.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.87 37.85 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 ttpm? -142.17 120.03 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -100.38 139.73 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -163.61 -173.94 32.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.54 142.34 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.1 mt -133.37 140.39 36.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.4 tt0 -57.86 -22.38 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -89.31 19.31 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.8 15.0 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.91 HG21 HD12 ' A' ' 47' ' ' LEU . 22.2 m -130.83 168.19 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.859 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.32 88.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -40.26 137.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.23 69.91 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.61 159.61 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.03 114.77 2.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 65.81 6.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.5 112.58 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -88.57 140.17 29.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -92.67 -58.87 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -76.48 161.9 28.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.69 -89.71 1.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m 53.43 82.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -141.02 112.15 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 176.96 21.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.4 163.02 18.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.699 ' CG ' ' ND2' ' A' ' 37' ' ' ASN . 69.8 m-85 -44.98 170.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -84.56 162.14 19.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -138.04 146.69 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.61 152.01 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -113.52 132.16 55.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -68.29 129.78 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 64' ' ' GLU . 46.5 mt -79.42 -49.5 12.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.9 m-85 -126.92 149.72 49.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 127.89 34.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -127.15 135.41 50.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 108.263 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 108.83 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.27 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.47 -40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -55.74 -79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.15 -38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 t -85.92 -30.07 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 66.2 mm-40 -64.89 161.42 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.5 mt -114.2 163.06 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 p -123.48 136.87 54.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 p90 -161.69 -173.92 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.5 p -125.24 154.72 41.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 136.32 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.71 19.62 47.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 117.5 34.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 HD11 ' A' ' 66' ' ' LEU . 11.6 t -88.11 126.2 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 88.8 m-85 -95.62 128.69 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.59 136.52 35.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.699 ' ND2' ' CG ' ' A' ' 10' ' ' PHE . 1.8 t-20 55.09 87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.52 148.67 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.71 166.4 10.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.03 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 8.3 t -66.96 -160.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -92.47 -18.95 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -88.18 151.01 48.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.53 5.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.44 55.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 90.9 m95 -132.92 130.02 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 63' ' ' VAL . 66.1 mt -100.54 161.0 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.41 98.84 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.92 -175.86 14.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.6 m -110.76 152.82 26.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -119.75 -68.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -130.93 77.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.59 24.67 57.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 50' ' ' THR . 3.0 ttpt -140.41 143.73 35.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.3 m -120.44 143.9 48.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.53 -164.8 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 84.8 mt -89.01 144.16 26.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 41.9 mt -135.12 139.94 33.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 117.8 5.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -62.14 -23.14 66.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -88.14 18.1 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -139.02 10.69 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 47' ' ' LEU . 11.1 m -130.49 171.93 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.1 tt0 -152.8 89.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -41.82 129.81 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -90.43 94.0 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.6 t -138.31 -53.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.063 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.4 130.81 10.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 77.7 3.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.0 p -154.93 106.12 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.05 115.42 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -125.21 144.32 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 0.806 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 58.15 88.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.21 -168.68 24.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -131.11 97.31 4.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.044 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -115.09 80.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -115.53 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.3 p -57.25 159.15 8.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.726 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 65.43 6.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 56.16 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.98 159.46 20.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.93 160.5 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -137.26 153.45 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.64 129.47 54.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.42 132.97 50.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.6 mt -82.5 -45.49 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 12.2 m-85 -130.88 145.92 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.22 127.85 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -126.58 133.84 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.272 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.78 111.01 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . -50.15 178.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -178.67 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -62.56 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -107.06 -7.86 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.14 33.93 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -110.69 167.75 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 58' ' ' ILE . 63.5 mt -124.57 149.29 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.2 p -117.53 134.34 54.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 10.9 p90 -158.12 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.0 p -124.87 146.52 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.81 123.67 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.52 -22.25 22.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 m -59.68 128.95 39.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 52.8 t -102.21 133.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 66.4 m-85 -100.64 152.58 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.25 144.61 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 40.22 84.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 13' ' ' ALA . 53.1 t -96.57 147.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -169.69 159.14 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.611 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.01 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 t -59.4 -151.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -99.05 -13.52 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -90.33 150.13 42.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.61 28.14 63.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 92.3 m95 -133.07 135.56 45.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.934 HD12 HG21 ' A' ' 63' ' ' VAL . 23.6 mt -109.7 157.25 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 6.4 tt0 -127.34 105.54 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.41 177.03 16.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -111.18 108.77 18.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.33 99.41 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLY . 12.1 m-80 60.05 76.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.03 40.5 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -142.58 119.1 10.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 m -99.06 142.55 30.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.07 -174.41 38.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.96 152.23 22.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 59' ' ' PRO . 66.3 mt -139.88 137.58 18.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.96 108.69 2.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.59 -23.29 10.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -88.34 18.89 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -142.42 21.16 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 47' ' ' LEU . 12.5 m -136.87 169.55 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.853 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.8 tt0 -150.56 86.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -39.35 133.76 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.88 91.45 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.62 149.79 25.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.7 -169.71 12.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.24 5.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -75.53 142.71 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p -150.76 166.59 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.78 85.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.783 . . . . 0.0 110.037 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 130.45 42.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 100.47 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -159.02 143.19 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -119.31 144.97 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.77 112.64 4.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.524 HG22 ' HD2' ' A' ' 9' ' ' PRO . 17.5 m 61.71 144.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.387 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.98 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -75.02 -171.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.19 165.18 13.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -130.39 152.86 49.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -131.1 152.67 50.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -119.0 132.45 56.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.56 134.46 51.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 64' ' ' GLU . 70.6 mt -84.05 -46.08 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 11.3 m-85 -130.9 140.94 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 129.92 44.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 1.7 t -125.39 134.97 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.19 104.48 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' ' 28' ' ' SER . . . -41.35 113.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -123.52 20.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -117.61 -164.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.1 -24.2 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 36.06 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mt-10 -109.79 173.38 6.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD21 ' HA3' ' A' ' 56' ' ' GLY . 20.7 mt -125.67 146.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 78.3 p -109.69 133.35 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -163.96 170.52 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -105.86 169.51 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.08 129.84 41.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.47 -19.92 38.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 m -57.36 129.6 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -99.67 139.73 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 51' ' ' LEU . 87.7 m-85 -108.08 146.8 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.94 143.34 26.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.99 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.1 t -103.59 140.76 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.32 167.18 15.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.48 3.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -62.89 172.0 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.23 -22.09 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -85.46 152.14 57.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.78 10.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.68 33.59 84.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 92.4 m95 -136.0 121.96 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 63' ' ' VAL . 86.8 mt -93.65 146.05 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.2 tt0 -116.91 99.18 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.57 -176.6 16.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 m -120.89 104.02 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 110.377 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 35' ' ' PHE . 10.4 tp -101.1 127.23 47.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 51' ' ' LEU . 8.2 p30 41.76 67.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.89 25.69 0.68 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.8 ttpp -129.96 117.36 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 m -96.42 144.4 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.571 ' HA3' HD21 ' A' ' 27' ' ' LEU . . . -168.83 -166.38 27.8 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 83.8 mt -95.86 140.97 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 59' ' ' PRO . 14.7 mt -131.94 140.31 37.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 118.88 5.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.7 tt0 -62.09 -23.43 66.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -88.52 19.38 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.61 16.27 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 47' ' ' LEU . 18.0 m -132.36 171.25 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.73 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -153.59 88.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -38.4 136.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -97.28 169.22 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -178.9 147.54 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.01 157.1 23.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.93 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m 53.29 81.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.4 m 59.82 86.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p 45.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -94.71 158.5 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.98 142.44 1.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.2 118.31 14.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -44.64 -58.29 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.17 136.96 23.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 9' ' ' PRO . 17.4 m -58.85 144.48 81.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.97 -159.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -76.71 -174.86 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.82 171.31 8.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.55 164.37 27.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.57 126.72 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.56 122.81 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 64' ' ' GLU . 52.2 mt -69.75 -49.58 51.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.0 m-85 -126.79 151.92 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 132.68 47.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -133.58 148.9 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 109.41 14.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.47 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -164.41 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -56.76 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 176.6 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -76.2 -31.72 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.963 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.75 168.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.4 mt -126.04 163.22 23.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 p -123.63 129.66 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.24 171.79 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.8 p -110.26 145.44 37.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 137.74 2.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.91 -22.03 42.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -57.23 130.26 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 15.3 t -100.0 135.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.21 139.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.29 145.57 25.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 42.39 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.94 158.8 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.9 p-80 -178.86 159.73 1.02 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.98 109.86 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.37 -163.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -18.48 31.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -85.58 147.69 47.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.18 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.77 28.46 62.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 91.3 m95 -134.16 133.68 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 63' ' ' VAL . 50.5 mt -105.45 154.76 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 tt0 -125.04 105.64 9.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.25 -176.8 14.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -114.26 140.21 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 0.806 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tp -143.72 109.55 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.52 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.63 40.03 1.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -145.96 141.46 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -120.81 147.42 45.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.48 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.03 -165.76 26.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 81.5 mt -97.65 144.77 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.5 mt -132.0 140.2 37.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.2 tt0 -57.13 -22.37 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -89.18 18.98 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.76 12.88 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.031 HG21 HD12 ' A' ' 47' ' ' LEU . 18.8 m -130.94 169.08 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.31 86.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -39.25 132.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.04 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.05 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.13 155.97 18.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.98 24.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 p 52.56 174.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.19 128.07 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -167.78 166.77 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.95 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -77.14 167.27 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.78 -117.47 10.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -159.5 127.06 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -39.47 -56.46 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.18 174.71 41.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HD2' ' A' ' 9' ' ' PRO . 4.9 t -92.4 147.15 33.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -159.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.565 1.824 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -65.56 -177.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.47 174.66 5.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -140.13 149.12 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.97 152.41 47.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -118.47 127.49 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.65 128.95 38.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.8 mt -77.54 -44.87 27.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.3 m-85 -129.61 152.59 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 133.95 47.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -137.04 152.26 49.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.97 116.41 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.27 137.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.92 24.99 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -143.0 -79.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 175.23 -57.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 t -61.96 -33.19 73.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.79 159.85 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.5 mt -117.48 154.53 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -113.62 135.82 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -157.59 -176.81 6.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.8 p -122.46 146.31 47.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 133.17 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.37 -12.58 63.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -65.32 122.78 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 27.1 t -95.85 124.07 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.07 150.11 21.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASN . 1.2 m-20 -95.92 144.22 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER 39.84 88.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.4 t -102.14 153.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -172.22 159.28 4.25 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.553 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.95 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -56.79 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -89.34 -13.41 37.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -90.99 153.63 44.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.33 11.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.13 37.09 94.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.586 1.178 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -138.05 124.76 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.009 HD12 HG21 ' A' ' 63' ' ' VAL . 58.5 mt -99.93 147.08 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.617 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 9.4 tt0 -119.46 101.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.12 -175.37 15.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.8 m -119.07 116.56 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.58 105.51 11.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.1 m-80 61.08 73.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.42 37.81 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -143.03 121.7 12.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -103.62 143.91 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.79 -171.0 33.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.67 145.98 24.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.588 HG23 ' HD2' ' A' ' 59' ' ' PRO . 35.0 mt -135.33 140.14 33.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.04 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 8.8 tt0 -59.31 -22.12 60.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -88.81 17.84 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -139.78 11.83 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.009 HG21 HD12 ' A' ' 47' ' ' LEU . 16.0 m -130.44 166.74 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.808 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -146.89 90.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -41.42 137.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.53 109.76 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -91.29 129.16 37.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.03 174.43 51.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.17 41.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.35 90.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.59 91.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -131.42 -58.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.24 164.83 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -72.03 -121.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -67.31 73.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.007 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -90.6 91.09 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.27 162.14 11.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.3 t -54.31 145.97 34.16 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -159.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 78.7 m-85 -47.08 173.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 168.21 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -136.06 163.41 30.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -142.86 145.85 33.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.1 ttpp -110.43 128.96 55.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -67.54 130.82 44.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -80.4 -49.53 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.0 m-85 -127.29 148.64 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 129.4 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.41 146.38 46.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.41 117.01 27.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.62 178.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.86 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -75.4 -82.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 25.9 t70 177.19 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -66.48 -37.0 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.2 160.07 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 56' ' ' GLY . 92.3 mt -114.04 158.95 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -124.93 132.72 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 6.0 p90 -160.42 -174.54 4.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -121.14 155.15 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.67 138.66 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.72 19.33 54.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -99.38 122.32 42.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 66' ' ' LEU . 3.0 t -88.56 138.71 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 96.9 m-85 -110.07 129.96 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.68 144.97 34.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 10' ' ' PHE . 8.7 t-20 42.3 89.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.5 t -108.7 134.27 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.8 p80 -150.66 163.06 25.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 111.77 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 4.1 p -57.19 -161.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -90.46 -27.7 19.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.58 155.42 76.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.96 11.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.58 40.4 96.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -140.85 129.16 22.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.017 HD12 HG21 ' A' ' 63' ' ' VAL . 48.5 mt -103.08 144.84 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 17.9 tt0 -117.3 97.84 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' THR . . . -122.58 -168.02 13.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -119.73 142.82 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -145.14 104.7 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 60.08 64.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.0 8.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 49' ' ' GLY . 16.4 m -112.42 145.11 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -170.34 -166.66 29.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.33 142.68 27.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.3 mt -133.2 139.54 34.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.92 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -60.76 -22.38 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -87.91 16.58 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.59 9.94 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.017 HG21 HD12 ' A' ' 47' ' ' LEU . 16.8 m -129.7 171.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.9 89.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -38.62 137.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -97.68 96.22 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -130.15 -62.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.77 -166.34 54.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.26 31.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m 55.41 102.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -172.14 162.37 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -150.53 129.45 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -91.27 152.72 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.84 148.03 7.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -135.96 167.8 20.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.48 167.19 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.23 163.09 30.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.6 p -134.48 154.53 79.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.579 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.5 Cg_endo -74.96 55.86 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 9' ' ' PRO . 23.7 m-85 -147.53 -176.99 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.67 -176.55 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -146.06 159.79 42.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -145.12 145.91 31.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.3 ttpp -109.74 132.76 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -71.15 130.37 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -79.17 -50.36 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 15.4 m-85 -125.13 153.98 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.25 127.38 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.72 44.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -123.9 109.53 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.43 143.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.49 10.45 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -133.1 -74.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.629 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER 170.29 -55.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -39.31 85.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.09 161.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 mt -113.82 144.67 42.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -111.22 125.61 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.8 p90 -153.46 -172.22 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.7 p -124.52 153.27 42.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.3 139.77 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.1 65.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -93.28 120.44 33.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.07 135.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 97.1 m-85 -106.69 123.1 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.43 135.7 37.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' ND2' ' CE2' ' A' ' 10' ' ' PHE . 8.9 t-20 55.6 86.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 13' ' ' ALA . 41.6 t -111.38 150.08 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.58 164.79 8.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 5.2 p -60.24 -160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -37.02 55.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.78 137.54 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.11 2.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.1 38.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -156.18 121.19 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 HG21 ' A' ' 63' ' ' VAL . 50.8 mt -88.11 143.64 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 15.2 tt0 -117.67 100.49 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.11 -168.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -117.5 144.4 45.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 0.771 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.25 -69.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.35 76.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.37 19.28 39.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -135.91 136.0 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -111.07 146.4 36.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.97 -164.73 25.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.32 143.42 26.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 21.1 mt -133.71 137.9 29.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -74.99 105.67 2.13 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -53.94 -21.33 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -88.31 15.79 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.17 9.99 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.961 HG21 HD12 ' A' ' 47' ' ' LEU . 8.7 m -129.84 168.96 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -147.4 90.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -40.29 140.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.97 166.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.25 -66.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.68 -175.94 36.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -49.58 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -163.78 -57.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m 49.02 85.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 61.85 104.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -108.62 159.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.24 130.67 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.02 94.47 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.12 -57.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.79 174.87 17.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 p -131.18 157.44 78.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.3 Cg_endo -74.97 59.75 5.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 9' ' ' PRO . 21.4 m-85 -145.01 169.22 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -90.33 165.53 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -139.84 148.21 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.91 156.33 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -120.95 125.25 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 141.58 56.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 64' ' ' GLU . 82.7 mt -93.25 -46.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.73 150.94 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.75 160.83 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -150.68 147.56 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -128.03 80.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.24 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.91 -43.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 29.0 t60 -69.16 164.48 22.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.659 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 39.6 m-20 -84.75 69.97 10.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t 178.7 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -59.07 169.57 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 56' ' ' GLY . 5.0 mt -130.24 152.75 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -112.97 132.75 55.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 1.7 p90 -156.47 169.56 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.1 p -110.17 146.52 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.24 135.02 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.62 21.44 34.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -102.7 121.76 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 110.352 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.7 t -89.25 137.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.3 -177.7 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.57 136.49 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 45.06 79.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 13' ' ' ALA . 77.2 t -94.84 127.97 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 33.4 p-80 -144.31 158.43 54.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.56 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.51 -15.53 39.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 7.5 mp0 -85.04 152.01 58.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.48 8.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 38.37 95.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -136.48 129.77 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.87 HD12 HG21 ' A' ' 63' ' ' VAL . 33.6 mt -101.31 150.1 23.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 3.0 tt0 -121.41 92.51 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -107.04 -169.48 22.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.3 m -131.61 100.3 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.443 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -97.52 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.81 70.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 42.17 2.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -145.87 120.18 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' GLY . 47.2 m -98.41 149.63 22.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.66 -169.75 34.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.88 137.99 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.555 HG23 ' HD2' ' A' ' 59' ' ' PRO . 12.8 mt -131.87 140.13 37.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 6.7 tt0 -63.12 -17.64 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.66 16.0 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.02 8.61 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 47' ' ' LEU . 4.8 m -126.42 167.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -144.91 89.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -41.66 132.12 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -88.84 172.78 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 p -140.71 162.0 36.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.34 169.68 14.44 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.11 6.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m 67.39 146.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m 63.2 84.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -153.1 90.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.726 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -137.18 -59.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.79 -77.49 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.46 122.93 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -152.14 -53.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.3 -133.8 12.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.504 HG22 ' HD2' ' A' ' 9' ' ' PRO . 21.1 m -95.86 144.37 27.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -77.01 -177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.5 165.27 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -127.04 165.41 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 38' ' ' VAL . . . -144.16 151.7 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -114.41 129.89 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.63 124.14 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.6 mt -71.33 -47.4 56.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 13.1 m-85 -130.66 153.35 49.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.25 129.8 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -130.35 147.08 52.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -120.79 112.33 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . -50.09 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.369 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.72 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -62.28 -84.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 178.18 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -70.31 -33.23 71.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.41 164.93 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.8 mt -121.45 168.89 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 p -126.79 128.82 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -153.22 -179.11 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.3 p -124.25 147.74 47.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.81 135.99 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.37 11.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -48.62 126.58 12.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 24.1 t -101.31 114.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -79.3 158.04 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.83 141.9 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 44.82 87.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' CB ' ' A' ' 13' ' ' ALA . 70.7 t -100.68 135.23 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 23.6 p-80 -157.14 159.02 31.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.504 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.71 -72.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.95 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.602 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -62.2 155.96 62.45 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 111.86 3.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.11 47.54 9.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 98.9 m95 -149.36 138.84 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 63' ' ' VAL . 6.8 mt -117.97 155.92 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 6.9 tt0 -117.82 99.93 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.88 178.81 16.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -118.19 131.77 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.788 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.99 114.66 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 60.28 63.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.88 31.56 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -135.01 136.29 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -116.02 145.23 43.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.76 -166.35 26.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.71 147.56 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 59' ' ' PRO . 32.5 mt -134.23 138.73 31.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.07 106.38 2.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -52.38 -22.18 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -89.38 19.26 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.75 18.03 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.725 HG21 HD12 ' A' ' 47' ' ' LEU . 5.4 m -135.73 167.44 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.868 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.2 tt0 -146.97 87.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -38.89 135.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.46 -178.99 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.32 175.79 41.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 68.37 5.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.3 88.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.42 127.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -163.99 -56.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 62.15 82.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.91 -175.46 41.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -113.67 -58.77 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 -58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.09 179.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.4 p -127.38 153.7 77.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.96 6.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 55.57 171.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.89 171.2 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -139.93 166.45 24.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -139.35 154.35 47.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 120.79 35.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -57.15 128.63 37.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -78.66 -45.95 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.5 m-85 -128.88 146.07 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 130.71 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.35 139.22 49.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -112.07 107.32 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.77 175.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.27 -42.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -56.78 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.8 t0 178.88 -53.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -68.6 -36.89 79.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -51.1 171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD11 ' N ' ' A' ' 56' ' ' GLY . 12.7 mt -128.4 149.35 50.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.3 p -111.44 135.56 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 11.2 p90 -162.65 177.41 9.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.4 p -118.98 148.6 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.32 130.71 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.68 -40.54 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -39.14 126.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.63 132.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE2' HD22 ' A' ' 51' ' ' LEU . 89.6 m-85 -100.29 131.59 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.96 132.87 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 54.37 86.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 13' ' ' ALA . 48.4 t -104.89 151.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.645 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -168.47 159.99 8.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p -57.51 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -94.73 -14.7 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.55 156.56 62.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.43 5.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.36 45.44 90.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -141.77 123.6 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 40.9 mt -94.14 153.0 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.645 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 14.9 tt0 -128.05 99.92 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.7 -171.2 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 m -115.8 104.1 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.916 HD12 ' N ' ' A' ' 52' ' ' ASN . 1.2 tp -98.95 130.34 45.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.916 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.0 p-10 39.53 60.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.96 30.91 16.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 51' ' ' LEU . 51.4 tttt -136.08 118.54 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.565 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.8 -167.99 29.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.54 142.77 27.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 59' ' ' PRO . 5.8 mt -132.74 140.05 36.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.98 114.45 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 63' ' ' VAL . 10.9 tt0 -58.13 -22.86 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.14 19.6 4.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.55 14.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 27.6 m -128.18 172.17 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.787 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.6 tt0 -150.49 84.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -39.07 135.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.93 137.06 40.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -165.07 163.94 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.28 157.45 26.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.25 13.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.07 109.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.74 -58.66 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t 54.66 104.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.25 139.12 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.4 63.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -148.08 -56.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 65.39 163.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -101.79 2.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.2 t -152.31 146.05 18.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -159.99 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD2' ' ND2' ' A' ' 37' ' ' ASN . 7.8 p90 -53.11 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -174.97 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -145.43 178.9 7.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -164.03 146.84 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -112.15 128.49 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -66.94 130.58 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 64' ' ' GLU . 39.9 mt -80.19 -49.83 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.5 m-85 -128.11 149.89 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 131.68 47.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.86 151.9 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.21 160.2 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 93.7 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.22 22.58 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -131.85 -165.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.99 -12.17 16.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.17 41.24 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.23 164.07 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 HD12 ' CG1' ' A' ' 58' ' ' ILE . 8.6 mt -113.76 160.02 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -124.22 126.13 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' HB3' HD22 ' A' ' 51' ' ' LEU . 7.8 p90 -150.23 -174.73 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -127.09 150.24 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.73 136.49 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.69 31.04 16.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.576 ' CG2' HD13 ' A' ' 51' ' ' LEU . 2.6 m -113.08 118.97 36.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 110.387 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -86.09 128.94 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 93.8 m-85 -100.13 117.55 34.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.91 130.21 38.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.9 t-20 64.5 85.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 13' ' ' ALA . 58.9 t -111.24 132.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -150.91 161.14 30.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.641 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -53.81 -70.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER 167.15 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.39 165.66 22.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.03 61.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -144.8 133.85 22.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.743 HD12 HG21 ' A' ' 63' ' ' VAL . 8.3 mt -112.31 165.88 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.611 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 20.1 tt0 -130.17 93.67 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.1 -178.85 15.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 84.9 m -107.9 156.52 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 29' ' ' PHE . 8.3 tp -129.34 -65.24 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -129.21 76.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.27 25.96 34.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -142.13 141.05 32.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 79.5 m -115.89 150.19 37.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.57 -162.6 26.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 44.3 mt -86.28 148.19 25.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 73.4 mt -139.43 139.31 22.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.98 109.2 2.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 4.7 tt0 -56.17 -22.64 30.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -88.55 18.07 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -139.09 11.34 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.743 HG21 HD12 ' A' ' 47' ' ' LEU . 6.2 m -130.51 167.33 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -146.62 88.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -40.34 131.45 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 115.41 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.1 m -105.65 141.35 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.02 133.15 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -58.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.93 92.1 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.44 98.61 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -131.92 154.69 48.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -134.14 155.6 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.1 ttpp -117.59 132.99 56.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.97 126.5 29.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.742 HD21 ' HB2' ' A' ' 64' ' ' GLU . 57.0 mt -74.77 -49.4 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 15.2 m-85 -125.36 153.5 43.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.67 41.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 4.1 t -121.54 138.56 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.9 mt -122.48 149.45 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.6 p -112.87 135.26 53.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' THR . 8.9 p90 -157.93 175.98 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.3 p -114.29 144.96 42.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.95 135.34 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 -12.05 69.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 29' ' ' PHE . 1.7 m -62.95 125.49 24.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 37.5 t -96.48 127.93 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 86.8 m-85 -95.93 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.62 144.13 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 40.24 79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 63.2 t -97.23 130.27 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.02 167.0 15.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -64.61 172.17 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -64.36 -29.94 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -79.13 152.23 76.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.62 34.71 88.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -137.66 123.94 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 63' ' ' VAL . 73.2 mt -95.92 145.27 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 13.9 tt0 -119.0 97.86 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.88 -168.41 14.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -126.22 105.24 8.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -99.9 103.68 15.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 59.66 74.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.37 40.3 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -145.75 119.63 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -101.33 140.09 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -164.79 -167.48 25.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 86.8 mt -94.2 137.87 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.0 mt -130.69 140.69 39.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.77 -22.04 66.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -89.38 18.73 4.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.48 11.7 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 47' ' ' LEU . 4.9 m -129.69 167.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.742 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -149.9 89.47 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -41.34 135.11 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -130.44 158.58 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -136.02 153.6 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.89 130.95 55.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -69.99 130.96 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 64' ' ' GLU . 47.9 mt -82.27 -43.5 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.47 142.56 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 134.1 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -133.1 134.54 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HD11 ' A' ' 58' ' ' ILE . 49.6 mt -126.51 151.54 47.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.5 p -118.21 132.47 56.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 15' ' ' ALA . 18.0 p90 -153.66 179.53 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.6 p -124.08 146.61 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.26 127.18 4.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 -39.76 2.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -43.69 140.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.364 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 25.4 t -110.61 134.3 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 92.0 m-85 -95.92 150.51 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.25 142.29 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 43.29 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.2 t -95.86 144.96 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -160.94 164.72 18.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -59.78 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -83.16 -19.0 37.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 6.2 mp0 -86.51 155.22 56.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 37.06 92.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -137.37 120.35 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 73.9 mt -92.88 149.98 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.7 tt0 -121.68 99.29 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.73 -167.82 13.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -127.02 114.8 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -113.44 105.94 13.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' GLY . 96.1 m-20 59.59 75.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.54 39.24 0.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.02 127.65 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.6 m -111.14 143.22 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.54 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.84 -166.8 28.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 73.5 mt -91.47 143.41 26.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 59' ' ' PRO . 27.7 mt -134.06 140.05 35.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.97 115.51 4.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.1 tt0 -60.45 -22.24 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.65 17.72 5.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.55 12.11 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 16.2 m -130.78 169.99 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.741 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -151.25 88.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -40.03 133.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -131.13 159.42 37.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -138.77 153.41 48.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -116.73 133.08 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 64' ' ' GLU . 54.6 mt -76.37 -45.17 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.67 145.58 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 129.56 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -123.56 151.57 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 56' ' ' GLY . 17.2 mt -126.65 158.61 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -121.62 138.02 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.5 p90 -163.0 174.8 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -115.6 147.97 40.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.91 129.16 5.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.65 -24.01 28.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -54.88 126.85 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 40.3 t -99.75 125.14 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 76.0 m-85 -92.02 150.81 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.97 144.68 26.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 40.72 83.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.6 t -100.23 134.75 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.63 167.23 13.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 116.14 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -64.92 -173.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -29.89 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -79.34 153.53 76.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 128.19 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.84 33.92 81.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 96.0 m95 -135.84 129.51 32.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.997 HD12 HG21 ' A' ' 63' ' ' VAL . 69.2 mt -101.55 146.17 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 12.0 tt0 -118.76 97.5 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.98 -171.99 15.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.6 m -120.7 116.74 25.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -114.51 103.83 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.87 71.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.98 40.18 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -147.35 122.35 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.35 146.77 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.76 -169.81 32.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 68.7 mt -92.97 140.04 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 59' ' ' PRO . 15.0 mt -131.94 139.11 34.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.0 116.33 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 5.3 tt0 -60.65 -22.43 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -88.86 18.46 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -140.3 12.28 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 47' ' ' LEU . 6.6 m -130.88 169.58 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -149.43 89.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -41.62 134.93 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -133.65 170.1 16.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.452 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -148.64 150.7 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.26 130.89 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -66.47 128.57 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.8 mt -76.24 -47.34 24.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 16.6 m-85 -131.33 146.33 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 132.7 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -132.16 150.93 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.254 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 58' ' ' ILE . 13.2 mt -118.39 157.11 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -116.7 128.03 54.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 18.8 p90 -153.42 173.74 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.7 p -117.44 146.67 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.01 127.4 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.65 -32.61 6.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -46.59 131.83 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 7.6 t -103.15 128.32 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 80.7 m-85 -95.04 141.87 28.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 41.02 85.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.3 t -102.28 142.78 15.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.85 165.8 17.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.576 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.508 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.7 t -61.38 -178.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -27.23 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -74.21 157.59 86.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.17 45.27 88.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' SER . 91.4 m95 -140.15 119.14 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 63' ' ' VAL . 77.9 mt -89.27 144.74 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.3 tt0 -118.17 102.17 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.48 -169.78 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 75.4 m -122.83 112.65 18.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.54 100.36 9.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 61.31 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.68 40.59 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -147.98 118.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 19.6 m -99.37 139.57 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -162.35 -172.12 29.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 64.7 mt -91.06 140.72 29.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.2 mt -132.25 140.75 38.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.0 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.8 -22.03 66.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -90.26 20.01 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.64 15.9 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.052 HG21 HD12 ' A' ' 47' ' ' LEU . 15.6 m -132.64 174.34 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.793 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.3 tt0 -154.9 86.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -38.97 131.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -132.53 174.96 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -157.12 143.28 17.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -109.31 135.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -72.31 130.71 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -79.12 -43.8 23.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 18.1 m-85 -133.08 148.62 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 130.95 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.01 147.21 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 56' ' ' GLY . 26.6 mt -121.95 159.7 26.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -121.82 136.85 54.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p90 -162.32 -172.1 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.9 p -129.71 150.86 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.13 134.18 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.93 62.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 m -66.32 121.7 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 4.2 t -96.74 124.14 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 81.9 m-85 -92.41 131.42 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.87 138.2 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.31 87.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.7 t -110.07 149.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 3.6 p80 -163.11 165.21 15.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.06 3.47 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -62.0 -167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' CD ' ' OE2' ' A' ' 43' ' ' GLU . 1.5 pp0? -89.01 -26.77 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 42' ' ' GLN . 1.6 mp0 -71.51 156.63 91.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.78 3.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.52 46.0 34.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -141.81 123.07 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 63' ' ' VAL . 86.7 mt -90.87 152.96 20.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 13.0 tt0 -127.02 100.57 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 58' ' ' ILE . . . -137.81 -176.14 14.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 53' ' ' GLY . 88.0 m -110.26 138.8 46.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.59 -66.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.24 55.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 50' ' ' THR . . . 96.94 -4.97 63.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -113.68 138.09 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -114.33 146.59 40.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.13 -163.7 25.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 92.4 mt -94.22 138.65 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 59' ' ' PRO . 6.3 mt -130.1 140.71 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.03 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.7 tt0 -63.22 -22.39 66.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -89.67 19.66 4.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.01 12.58 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.059 HG21 HD12 ' A' ' 47' ' ' LEU . 17.0 m -130.85 173.26 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -154.39 88.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -40.32 135.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -138.6 159.39 42.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -135.7 156.0 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -119.2 129.5 55.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.98 126.46 28.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -75.25 -42.76 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 31.1 m-85 -131.19 159.97 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 127.58 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 2.5 t -124.11 137.66 54.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' CG1' ' A' ' 58' ' ' ILE . 22.7 mt -114.18 146.64 40.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 51' ' ' LEU . 2.8 m -111.47 133.79 53.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.4 p90 -159.43 -172.1 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 p -125.91 156.04 40.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 130.57 36.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.81 -11.33 59.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 121.44 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -91.55 131.41 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 83.8 m-85 -100.21 137.95 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.42 142.65 28.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.45 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 13' ' ' ALA . 55.1 t -105.12 146.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -165.35 159.75 14.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -74.99 112.8 3.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.42 -155.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -90.7 -26.53 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -81.52 147.25 59.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.12 8.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.11 21.39 70.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.9 m95 -129.98 126.59 38.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.955 HD12 HG21 ' A' ' 63' ' ' VAL . 60.0 mt -100.16 157.39 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.626 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 12.7 tt0 -128.24 99.68 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.52 -174.76 15.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.2 m -117.27 111.95 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 28' ' ' SER . 11.5 tp -111.51 102.17 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.08 74.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.57 36.86 0.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -142.01 120.97 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -104.16 140.92 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.515 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.41 -170.2 31.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.35 145.65 25.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.605 ' CG1' HD12 ' A' ' 27' ' ' LEU . 35.3 mt -135.71 140.7 34.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 3.5 tt0 -58.68 -21.96 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -89.19 18.27 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -140.24 12.15 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.955 HG21 HD12 ' A' ' 47' ' ' LEU . 4.7 m -130.29 170.99 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.688 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -152.72 89.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -42.0 137.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -137.45 146.82 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -127.06 153.25 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -116.68 132.04 56.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . . . -71.78 129.35 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 64' ' ' GLU . 40.8 mt -81.48 -49.85 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.0 m-85 -119.45 162.77 18.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.51 133.78 34.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -131.59 150.19 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' N ' ' A' ' 56' ' ' GLY . 1.4 mt -108.12 166.82 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.0 m -116.79 151.84 35.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -173.14 -178.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.1 p -124.67 146.3 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.94 137.51 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.59 17.38 56.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -97.63 116.35 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.14 131.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 95.4 m-85 -100.78 135.38 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.3 129.16 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.89 86.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 13' ' ' ALA . 72.0 t -112.17 142.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -157.94 166.33 16.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -67.4 -178.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -73.2 -32.98 65.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.24 152.71 90.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 33.68 87.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -135.24 121.92 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.026 HD12 HG21 ' A' ' 63' ' ' VAL . 85.2 mt -93.66 154.18 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 3.3 tt0 -125.75 104.17 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.86 -172.65 13.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.0 m -115.04 144.01 44.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.2 tp -115.42 -65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.28 84.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.3 24.37 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -141.25 127.78 20.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -107.08 143.5 35.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.673 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.03 -166.24 26.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 79.0 mt -87.46 143.57 27.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 59' ' ' PRO . 17.6 mt -133.67 141.33 39.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 121.4 6.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.1 tt0 -66.12 -22.5 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -88.4 17.27 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.86 10.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.026 HG21 HD12 ' A' ' 47' ' ' LEU . 12.9 m -129.79 171.08 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.6 tt0 -152.44 86.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -38.56 135.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.79 -172.23 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -169.77 144.21 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.5 ttpp -109.67 134.4 52.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -72.27 128.72 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 64' ' ' GLU . 44.2 mt -76.43 -49.13 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.8 m-85 -126.06 159.14 33.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 130.16 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.55 149.53 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD12 ' CG1' ' A' ' 58' ' ' ILE . 62.4 mt -119.67 152.98 36.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -122.73 135.06 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.2 p90 -159.16 -174.56 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -122.4 148.59 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.25 136.22 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.49 38.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -102.86 122.52 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 66' ' ' LEU . 2.8 t -89.52 136.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.9 m-85 -106.42 123.04 47.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.57 142.53 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 44.47 88.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 13' ' ' ALA . 63.3 t -106.41 153.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -174.24 159.29 2.74 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.549 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.3 p -56.36 -162.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.42 -22.37 28.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -80.36 146.01 60.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' CA ' ' OE2' ' A' ' 60' ' ' GLU . . . 84.24 32.24 23.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.6 m95 -139.51 129.13 24.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.92 HD12 HG21 ' A' ' 63' ' ' VAL . 21.6 mt -98.86 158.4 15.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.613 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 8.3 tt0 -132.33 103.53 6.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.36 -170.25 12.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.6 m -117.2 139.12 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -142.53 110.95 6.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 54.17 63.15 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.34 39.37 9.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -144.16 119.45 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 m -104.73 144.29 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.87 -167.77 30.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.3 147.5 25.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 0.725 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 27' ' ' LEU . 53.1 mt -137.01 140.05 30.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.0 Cg_endo -75.01 105.52 2.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' OE2' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -53.73 -20.29 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 3.2 p-10 -89.58 16.66 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -138.2 15.1 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.92 HG21 HD12 ' A' ' 47' ' ' LEU . 29.9 m -129.78 172.17 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -153.12 87.56 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -37.92 135.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.597 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -135.16 153.25 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -130.84 150.53 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.24 127.41 54.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.06 122.26 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 64' ' ' GLU . 50.3 mt -70.4 -49.48 48.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 7.0 m-85 -125.94 149.73 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 130.68 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -128.23 132.77 48.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 108.281 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.3 mt -118.07 146.69 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -105.21 131.09 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -156.45 174.05 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p -115.83 146.89 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.09 129.97 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.5 23.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -52.95 125.96 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.355 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 21.7 t -100.98 125.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -94.79 152.0 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.58 145.47 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 40.02 84.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 13' ' ' ALA . 57.9 t -98.04 136.94 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -155.91 160.0 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.55 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.02 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -56.44 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -88.68 -14.4 37.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 152.85 45.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 126.07 9.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.57 33.75 85.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -135.86 123.89 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.91 HD12 HG21 ' A' ' 63' ' ' VAL . 60.7 mt -97.67 152.34 19.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 16.0 tt0 -125.01 97.66 5.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.87 -175.45 19.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -120.62 102.29 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.1 tp -97.39 100.44 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.34 75.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.87 37.85 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 ttpm? -142.17 120.03 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -100.38 139.73 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -163.61 -173.94 32.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.54 142.34 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.1 mt -133.37 140.39 36.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.4 tt0 -57.86 -22.38 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -89.31 19.31 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.8 15.0 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.91 HG21 HD12 ' A' ' 47' ' ' LEU . 22.2 m -130.83 168.19 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.859 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.32 88.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -40.26 137.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -138.04 146.69 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.61 152.01 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -113.52 132.16 55.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -68.29 129.78 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 64' ' ' GLU . 46.5 mt -79.42 -49.5 12.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.9 m-85 -126.92 149.72 49.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 127.89 34.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -127.15 135.41 50.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 108.263 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 66.2 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.5 mt -114.2 163.06 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 p -123.48 136.87 54.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 p90 -161.69 -173.92 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.5 p -125.24 154.72 41.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 136.32 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.71 19.62 47.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 117.5 34.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 HD11 ' A' ' 66' ' ' LEU . 11.6 t -88.11 126.2 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 88.8 m-85 -95.62 128.69 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.59 136.52 35.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.09 87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.52 148.67 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.71 166.4 10.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.03 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 8.3 t -66.96 -160.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -92.47 -18.95 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -88.18 151.01 48.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.53 5.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.44 55.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 90.9 m95 -132.92 130.02 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 63' ' ' VAL . 66.1 mt -100.54 161.0 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.41 98.84 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.92 -175.86 14.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.6 m -110.76 152.82 26.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -119.75 -68.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -130.93 77.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.59 24.67 57.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 50' ' ' THR . 3.0 ttpt -140.41 143.73 35.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.3 m -120.44 143.9 48.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.53 -164.8 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 84.8 mt -89.01 144.16 26.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 41.9 mt -135.12 139.94 33.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 117.8 5.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -62.14 -23.14 66.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 4.3 p30 -88.14 18.1 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -139.02 10.69 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 47' ' ' LEU . 11.1 m -130.49 171.93 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.1 tt0 -152.8 89.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -41.82 129.81 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.93 160.5 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -137.26 153.45 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.64 129.47 54.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.42 132.97 50.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.6 mt -82.5 -45.49 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 12.2 m-85 -130.88 145.92 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.22 127.85 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -126.58 133.84 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.272 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 58' ' ' ILE . 63.5 mt -124.57 149.29 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.2 p -117.53 134.34 54.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 10.9 p90 -158.12 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.0 p -124.87 146.52 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.81 123.67 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.52 -22.25 22.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 m -59.68 128.95 39.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 52.8 t -102.21 133.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 66.4 m-85 -100.64 152.58 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.25 144.61 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 40.22 84.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 13' ' ' ALA . 53.1 t -96.57 147.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -169.69 159.14 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.01 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 t -59.4 -151.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -99.05 -13.52 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -90.33 150.13 42.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.61 28.14 63.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 92.3 m95 -133.07 135.56 45.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.934 HD12 HG21 ' A' ' 63' ' ' VAL . 23.6 mt -109.7 157.25 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 6.4 tt0 -127.34 105.54 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.41 177.03 16.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -111.18 108.77 18.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.33 99.41 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLY . 12.1 m-80 60.05 76.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.03 40.5 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -142.58 119.1 10.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 m -99.06 142.55 30.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.07 -174.41 38.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.96 152.23 22.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 59' ' ' PRO . 66.3 mt -139.88 137.58 18.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.96 108.69 2.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.59 -23.29 10.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -88.34 18.89 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -142.42 21.16 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 47' ' ' LEU . 12.5 m -136.87 169.55 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.853 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.8 tt0 -150.56 86.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -39.35 133.76 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -130.39 152.86 49.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -131.1 152.67 50.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -119.0 132.45 56.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.56 134.46 51.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 64' ' ' GLU . 70.6 mt -84.05 -46.08 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 11.3 m-85 -130.9 140.94 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 129.92 44.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 1.7 t -125.39 134.97 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.498 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD21 ' HA3' ' A' ' 56' ' ' GLY . 20.7 mt -125.67 146.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -109.69 133.35 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -163.96 170.52 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -105.86 169.51 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.08 129.84 41.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.47 -19.92 38.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 m -57.36 129.6 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -99.67 139.73 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 51' ' ' LEU . 87.7 m-85 -108.08 146.8 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.94 143.34 26.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.99 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.1 t -103.59 140.76 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.32 167.18 15.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.48 3.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -62.89 172.0 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.23 -22.09 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -85.46 152.14 57.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.78 10.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.68 33.59 84.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 92.4 m95 -136.0 121.96 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 63' ' ' VAL . 86.8 mt -93.65 146.05 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.2 tt0 -116.91 99.18 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.57 -176.6 16.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 m -120.89 104.02 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 110.377 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 35' ' ' PHE . 10.4 tp -101.1 127.23 47.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 51' ' ' LEU . 8.2 p30 41.76 67.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.89 25.69 0.68 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.8 ttpp -129.96 117.36 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 m -96.42 144.4 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.571 ' HA3' HD21 ' A' ' 27' ' ' LEU . . . -168.83 -166.38 27.8 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 83.8 mt -95.86 140.97 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 59' ' ' PRO . 14.7 mt -131.94 140.31 37.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 118.88 5.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.7 tt0 -62.09 -23.43 66.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -88.52 19.38 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.61 16.27 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 47' ' ' LEU . 18.0 m -132.36 171.25 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.73 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -153.59 88.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -38.4 136.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.55 164.37 27.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.57 126.72 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.56 122.81 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 64' ' ' GLU . 52.2 mt -69.75 -49.58 51.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.0 m-85 -126.79 151.92 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 132.68 47.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -133.58 148.9 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.4 mt -126.04 163.22 23.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 p -123.63 129.66 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.24 171.79 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.8 p -110.26 145.44 37.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 137.74 2.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.91 -22.03 42.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -57.23 130.26 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 15.3 t -100.0 135.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.21 139.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.29 145.57 25.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 42.39 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.94 158.8 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.9 p-80 -178.86 159.73 1.02 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.98 109.86 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.37 -163.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -18.48 31.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -85.58 147.69 47.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.18 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.77 28.46 62.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 91.3 m95 -134.16 133.68 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 63' ' ' VAL . 50.5 mt -105.45 154.76 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 tt0 -125.04 105.64 9.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.25 -176.8 14.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -114.26 140.21 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 0.806 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tp -143.72 109.55 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.52 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.63 40.03 1.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -145.96 141.46 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -120.81 147.42 45.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.48 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.03 -165.76 26.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 81.5 mt -97.65 144.77 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.5 mt -132.0 140.2 37.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.2 tt0 -57.13 -22.37 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -89.18 18.98 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.76 12.88 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.031 HG21 HD12 ' A' ' 47' ' ' LEU . 18.8 m -130.94 169.08 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.31 86.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -39.25 132.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -140.13 149.12 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.97 152.41 47.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -118.47 127.49 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.65 128.95 38.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.8 mt -77.54 -44.87 27.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.3 m-85 -129.61 152.59 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 133.95 47.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -137.04 152.26 49.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.5 mt -117.48 154.53 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -113.62 135.82 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -157.59 -176.81 6.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.8 p -122.46 146.31 47.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 133.17 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.37 -12.58 63.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -65.32 122.78 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 27.1 t -95.85 124.07 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.07 150.11 21.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASN . 1.2 m-20 -95.92 144.22 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER 39.84 88.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.4 t -102.14 153.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -172.22 159.28 4.25 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.553 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.95 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -56.79 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -89.34 -13.41 37.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -90.99 153.63 44.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.33 11.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.13 37.09 94.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.586 1.178 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -138.05 124.76 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.009 HD12 HG21 ' A' ' 63' ' ' VAL . 58.5 mt -99.93 147.08 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.623 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 9.4 tt0 -119.46 101.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.12 -175.37 15.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.8 m -119.07 116.56 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.58 105.51 11.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.1 m-80 61.08 73.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.42 37.81 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -143.03 121.7 12.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -103.62 143.91 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.592 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.79 -171.0 33.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.67 145.98 24.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.588 HG23 ' HD2' ' A' ' 59' ' ' PRO . 35.0 mt -135.33 140.14 33.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.04 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 8.8 tt0 -59.31 -22.12 60.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -88.81 17.84 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -139.78 11.83 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.009 HG21 HD12 ' A' ' 47' ' ' LEU . 16.0 m -130.44 166.74 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.808 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -146.89 90.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -41.42 137.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -136.06 163.41 30.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -142.86 145.85 33.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.1 ttpp -110.43 128.96 55.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -67.54 130.82 44.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -80.4 -49.53 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.0 m-85 -127.29 148.64 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 129.4 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.41 146.38 46.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 56' ' ' GLY . 92.3 mt -114.04 158.95 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -124.93 132.72 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 6.0 p90 -160.42 -174.54 4.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -121.14 155.15 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.67 138.66 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.72 19.33 54.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -99.38 122.32 42.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 66' ' ' LEU . 3.0 t -88.56 138.71 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 96.9 m-85 -110.07 129.96 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.68 144.97 34.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 42.3 89.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.5 t -108.7 134.27 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.8 p80 -150.66 163.06 25.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 111.77 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 4.1 p -57.19 -161.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -90.46 -27.7 19.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.58 155.42 76.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.96 11.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.58 40.4 96.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -140.85 129.16 22.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.017 HD12 HG21 ' A' ' 63' ' ' VAL . 48.5 mt -103.08 144.84 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 17.9 tt0 -117.3 97.84 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' THR . . . -122.58 -168.02 13.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -119.73 142.82 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -145.14 104.7 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 60.08 64.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.0 8.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 49' ' ' GLY . 16.4 m -112.42 145.11 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -170.34 -166.66 29.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.33 142.68 27.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.3 mt -133.2 139.54 34.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.92 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -60.76 -22.38 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -87.91 16.58 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.59 9.94 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.017 HG21 HD12 ' A' ' 47' ' ' LEU . 16.8 m -129.7 171.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.9 89.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -38.62 137.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -146.06 159.79 42.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -145.12 145.91 31.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.3 ttpp -109.74 132.76 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -71.15 130.37 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -79.17 -50.36 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 15.4 m-85 -125.13 153.98 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.25 127.38 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.72 44.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 tttp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 mt -113.82 144.67 42.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -111.22 125.61 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.8 p90 -153.46 -172.22 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.7 p -124.52 153.27 42.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.3 139.77 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.1 65.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -93.28 120.44 33.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.07 135.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 97.1 m-85 -106.69 123.1 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.43 135.7 37.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 55.6 86.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 13' ' ' ALA . 41.6 t -111.38 150.08 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.58 164.79 8.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 5.2 p -60.24 -160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -37.02 55.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.78 137.54 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.11 2.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.1 38.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -156.18 121.19 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 HG21 ' A' ' 63' ' ' VAL . 50.8 mt -88.11 143.64 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 15.2 tt0 -117.67 100.49 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.11 -168.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -117.5 144.4 45.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 0.771 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.25 -69.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.35 76.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.37 19.28 39.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -135.91 136.0 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -111.07 146.4 36.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.97 -164.73 25.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.32 143.42 26.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 21.1 mt -133.71 137.9 29.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -74.99 105.67 2.13 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -53.94 -21.33 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -88.31 15.79 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.17 9.99 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.961 HG21 HD12 ' A' ' 47' ' ' LEU . 8.7 m -129.84 168.96 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -147.4 90.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -40.29 140.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -139.84 148.21 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.91 156.33 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -120.95 125.25 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 141.58 56.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 64' ' ' GLU . 82.7 mt -93.25 -46.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.73 150.94 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.409 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.75 160.83 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -150.68 147.56 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 56' ' ' GLY . 5.0 mt -130.24 152.75 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -112.97 132.75 55.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 1.7 p90 -156.47 169.56 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.1 p -110.17 146.52 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.24 135.02 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.62 21.44 34.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -102.7 121.76 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 110.352 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.7 t -89.25 137.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.3 -177.7 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.57 136.49 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 45.06 79.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 13' ' ' ALA . 77.2 t -94.84 127.97 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 27.0 p80 -144.31 158.43 54.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.56 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.51 -15.53 39.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 7.5 mp0 -85.04 152.01 58.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.48 8.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 38.37 95.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -136.48 129.77 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.87 HD12 HG21 ' A' ' 63' ' ' VAL . 33.6 mt -101.31 150.1 23.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 3.0 tt0 -121.41 92.51 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -107.04 -169.48 22.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.3 m -131.61 100.3 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.443 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -97.52 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.81 70.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 42.17 2.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -145.87 120.18 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' GLY . 47.2 m -98.41 149.63 22.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.66 -169.75 34.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.88 137.99 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.555 HG23 ' HD2' ' A' ' 59' ' ' PRO . 12.8 mt -131.87 140.13 37.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 6.7 tt0 -63.12 -17.64 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.66 16.0 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.02 8.61 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 47' ' ' LEU . 4.8 m -126.42 167.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -144.91 89.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -41.66 132.12 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -127.04 165.41 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 38' ' ' VAL . . . -144.16 151.7 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -114.41 129.89 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.63 124.14 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.6 mt -71.33 -47.4 56.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 13.1 m-85 -130.66 153.35 49.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.25 129.8 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -130.35 147.08 52.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.8 mt -121.45 168.89 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 p -126.79 128.82 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -153.22 -179.11 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.3 p -124.25 147.74 47.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.81 135.99 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.37 11.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -48.62 126.58 12.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 24.1 t -101.31 114.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -79.3 158.04 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.83 141.9 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 44.82 87.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' CB ' ' A' ' 13' ' ' ALA . 70.7 t -100.68 135.23 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 25.2 p80 -157.14 159.02 31.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.504 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.71 -72.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.95 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.602 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -62.2 155.96 62.45 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 111.86 3.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.11 47.54 9.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 98.9 m95 -149.36 138.84 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 63' ' ' VAL . 6.8 mt -117.97 155.92 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 6.9 tt0 -117.82 99.93 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.88 178.81 16.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -118.19 131.77 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.788 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.99 114.66 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 60.28 63.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.88 31.56 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -135.01 136.29 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -116.02 145.23 43.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.76 -166.35 26.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.71 147.56 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 59' ' ' PRO . 32.5 mt -134.23 138.73 31.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.07 106.38 2.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -52.38 -22.18 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -89.38 19.26 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.75 18.03 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.725 HG21 HD12 ' A' ' 47' ' ' LEU . 5.4 m -135.73 167.44 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.868 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.2 tt0 -146.97 87.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -38.89 135.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -139.93 166.45 24.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -139.35 154.35 47.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 120.79 35.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -57.15 128.63 37.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -78.66 -45.95 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.5 m-85 -128.88 146.07 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 130.71 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.35 139.22 49.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD11 ' N ' ' A' ' 56' ' ' GLY . 12.7 mt -128.4 149.35 50.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.3 p -111.44 135.56 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 11.2 p90 -162.65 177.41 9.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.4 p -118.98 148.6 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.32 130.71 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.68 -40.54 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -39.14 126.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.63 132.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE2' HD22 ' A' ' 51' ' ' LEU . 89.6 m-85 -100.29 131.59 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.96 132.87 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 54.37 86.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 13' ' ' ALA . 48.4 t -104.89 151.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -168.47 159.99 8.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p -57.51 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -94.73 -14.7 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.55 156.56 62.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.43 5.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.36 45.44 90.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -141.77 123.6 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 40.9 mt -94.14 153.0 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.633 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 14.9 tt0 -128.05 99.92 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.7 -171.2 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 m -115.8 104.1 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.916 HD12 ' N ' ' A' ' 52' ' ' ASN . 1.2 tp -98.95 130.34 45.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.916 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.0 p-10 39.53 60.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.96 30.91 16.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 51' ' ' LEU . 51.4 tttt -136.08 118.54 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.565 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.8 -167.99 29.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.54 142.77 27.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 59' ' ' PRO . 5.8 mt -132.74 140.05 36.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.98 114.45 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 63' ' ' VAL . 10.9 tt0 -58.13 -22.86 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.14 19.6 4.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.55 14.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 27.6 m -128.18 172.17 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.787 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.6 tt0 -150.49 84.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -39.07 135.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -145.43 178.9 7.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -164.03 146.84 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -112.15 128.49 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -66.94 130.58 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 64' ' ' GLU . 39.9 mt -80.19 -49.83 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.5 m-85 -128.11 149.89 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 131.68 47.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.86 151.9 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 HD12 ' CG1' ' A' ' 58' ' ' ILE . 8.6 mt -113.76 160.02 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -124.22 126.13 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' HB3' HD22 ' A' ' 51' ' ' LEU . 7.8 p90 -150.23 -174.73 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -127.09 150.24 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.73 136.49 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.69 31.04 16.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.576 ' CG2' HD13 ' A' ' 51' ' ' LEU . 2.6 m -113.08 118.97 36.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 110.387 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -86.09 128.94 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 93.8 m-85 -100.13 117.55 34.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.91 130.21 38.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.5 85.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 13' ' ' ALA . 58.9 t -111.24 132.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -150.91 161.14 30.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.641 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -53.81 -70.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER 167.15 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.39 165.66 22.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.03 61.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -144.8 133.85 22.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.743 HD12 HG21 ' A' ' 63' ' ' VAL . 8.3 mt -112.31 165.88 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 tt0 -130.17 93.67 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.1 -178.85 15.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 84.9 m -107.9 156.52 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 29' ' ' PHE . 8.3 tp -129.34 -65.24 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -129.21 76.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.27 25.96 34.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -142.13 141.05 32.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 79.5 m -115.89 150.19 37.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.57 -162.6 26.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 44.3 mt -86.28 148.19 25.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 73.4 mt -139.43 139.31 22.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.98 109.2 2.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 4.7 tt0 -56.17 -22.64 30.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -88.55 18.07 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -139.09 11.34 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.743 HG21 HD12 ' A' ' 47' ' ' LEU . 6.2 m -130.51 167.33 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -146.62 88.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -40.34 131.45 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 132.52 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m 66.44 96.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.95 -107.37 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.45 156.26 31.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 0.734 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -55.7 145.96 22.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.78 176.67 41.56 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 t -116.22 146.93 38.33 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.69 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.96 179.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -118.56 164.56 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -131.92 154.69 48.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -134.14 155.6 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.1 ttpp -117.59 132.99 56.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.97 126.5 29.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.742 HD21 ' HB2' ' A' ' 64' ' ' GLU . 57.0 mt -74.77 -49.4 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 15.2 m-85 -125.36 153.5 43.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.67 41.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 4.1 t -121.54 138.56 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -106.61 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -40.55 136.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -111.59 -19.52 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 150.47 20.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.0 -55.61 30.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 t -46.98 -43.53 19.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.54 162.3 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.9 mt -122.48 149.45 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.6 p -112.87 135.26 53.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' THR . 8.9 p90 -157.93 175.98 13.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.3 p -114.29 144.96 42.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.95 135.34 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 -12.05 69.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 29' ' ' PHE . 1.7 m -62.95 125.49 24.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 37.5 t -96.48 127.93 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 86.8 m-85 -95.93 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.62 144.13 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 40.24 79.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' PHE . 63.2 t -97.23 130.27 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.02 167.0 15.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -64.61 172.17 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -64.36 -29.94 71.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -79.13 152.23 76.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.62 34.71 88.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -137.66 123.94 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 63' ' ' VAL . 73.2 mt -95.92 145.27 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 13.9 tt0 -119.0 97.86 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.88 -168.41 14.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -126.22 105.24 8.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.445 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -99.9 103.68 15.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 59.66 74.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.37 40.3 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -145.75 119.63 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -101.33 140.09 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -164.79 -167.48 25.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 86.8 mt -94.2 137.87 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.0 mt -130.69 140.69 39.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.77 -22.04 66.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -89.38 18.73 4.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.48 11.7 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 47' ' ' LEU . 4.9 m -129.69 167.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.742 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -149.9 89.47 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -41.34 135.11 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 130.96 46.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 t -130.67 -55.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.28 159.67 32.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 125.9 9.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.48 -58.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.94 170.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 41.1 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -113.13 140.44 47.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 112.57 0.46 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.58 74.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -147.03 135.09 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.72 -127.39 9.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.5 p -82.36 159.57 64.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.29 6.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 54.3 168.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 161.16 13.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -130.44 158.58 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -136.02 153.6 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.89 130.95 55.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -69.99 130.96 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 64' ' ' GLU . 47.9 mt -82.27 -43.5 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.47 142.56 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 134.1 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -133.1 134.54 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.295 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -95.73 111.11 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 28' ' ' SER . . . -50.18 178.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 178.86 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -62.79 178.86 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.3 -2.85 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -145.33 37.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -114.92 169.81 8.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HD11 ' A' ' 58' ' ' ILE . 49.6 mt -126.51 151.54 47.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 60.5 p -118.21 132.47 56.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 15' ' ' ALA . 18.0 p90 -153.66 179.53 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.6 p -124.08 146.61 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.26 127.18 4.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 -39.76 2.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -43.69 140.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.364 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 25.4 t -110.61 134.3 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 92.0 m-85 -95.92 150.51 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.25 142.29 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 43.29 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.2 t -95.86 144.96 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -160.94 164.72 18.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -59.78 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -83.16 -19.0 37.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 6.2 mp0 -86.51 155.22 56.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.94 37.06 92.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -137.37 120.35 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 73.9 mt -92.88 149.98 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.7 tt0 -121.68 99.29 6.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.73 -167.82 13.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -127.02 114.8 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -113.44 105.94 13.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' GLY . 96.1 m-20 59.59 75.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.54 39.24 0.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.02 127.65 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.6 m -111.14 143.22 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.54 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.84 -166.8 28.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 73.5 mt -91.47 143.41 26.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 59' ' ' PRO . 27.7 mt -134.06 140.05 35.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.97 115.51 4.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.1 tt0 -60.45 -22.24 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.65 17.72 5.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -139.55 12.11 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 16.2 m -130.78 169.99 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.741 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -151.25 88.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -40.03 133.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 77.99 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.6 p -102.12 151.63 21.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.28 157.95 26.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.86 40.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.4 p -51.51 109.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.1 p -148.92 98.57 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.38 -58.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 163.64 23.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.22 122.7 2.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p 44.33 90.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.723 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -143.04 -63.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.07 -97.87 0.25 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -72.71 158.65 86.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 63.86 6.01 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 58.5 177.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -104.62 155.69 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -131.13 159.42 37.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -138.77 153.41 48.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -116.73 133.08 56.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 64' ' ' GLU . 54.6 mt -76.37 -45.17 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 11.4 m-85 -132.67 145.58 51.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 129.56 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -123.56 151.57 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.81 50.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.07 88.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -104.65 18.09 22.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -116.54 -174.81 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.581 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -91.9 -34.95 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.15 58.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -129.27 173.87 10.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 56' ' ' GLY . 17.2 mt -126.65 158.61 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.4 p -121.62 138.02 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.5 p90 -163.0 174.8 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -115.6 147.97 40.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.91 129.16 5.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.65 -24.01 28.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -54.88 126.85 26.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 40.3 t -99.75 125.14 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 76.0 m-85 -92.02 150.81 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.97 144.68 26.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 40.72 83.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.6 t -100.23 134.75 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -151.63 167.23 13.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 116.14 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -64.92 -173.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -29.89 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -79.34 153.53 76.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 128.19 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.84 33.92 81.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 96.0 m95 -135.84 129.51 32.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.997 HD12 HG21 ' A' ' 63' ' ' VAL . 69.2 mt -101.55 146.17 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 12.0 tt0 -118.76 97.5 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.98 -171.99 15.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.6 m -120.7 116.74 25.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -114.51 103.83 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.87 71.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.98 40.18 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -147.35 122.35 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.35 146.77 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.43 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.76 -169.81 32.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 68.7 mt -92.97 140.04 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 59' ' ' PRO . 15.0 mt -131.94 139.11 34.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.0 116.33 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 5.3 tt0 -60.65 -22.43 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -88.86 18.46 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -140.3 12.28 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 47' ' ' LEU . 6.6 m -130.88 169.58 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.763 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -149.43 89.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -41.62 134.93 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.34 175.22 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 t 59.6 167.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.71 176.57 20.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.91 14.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -108.89 157.67 18.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.1 -58.55 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -44.33 -58.61 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -111.93 120.67 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.96 -123.84 1.28 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -151.5 137.97 18.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.803 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -80.27 121.6 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.8 152.21 22.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.4 p -125.45 158.04 65.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.17 4.18 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.76 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -140.67 174.69 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.86 171.57 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -133.65 170.1 16.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -148.64 150.7 33.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.26 130.89 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -66.47 128.57 36.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.8 mt -76.24 -47.34 24.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 16.6 m-85 -131.33 146.33 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 132.7 50.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -132.16 150.93 52.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.254 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -115.05 125.24 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.88 178.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 176.24 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 18.2 t-80 -79.16 -1.88 38.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 23' ' ' HIS . 1.3 m-20 83.93 -64.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -58.34 -38.45 77.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.41 167.63 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 58' ' ' ILE . 13.2 mt -118.39 157.11 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -116.7 128.03 54.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 18.8 p90 -153.42 173.74 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.7 p -117.44 146.67 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.01 127.4 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.65 -32.61 6.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -46.59 131.83 11.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 7.6 t -103.15 128.32 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 80.7 m-85 -95.04 141.87 28.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 41.02 85.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.3 t -102.28 142.78 15.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -157.85 165.8 17.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.576 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 111.46 3.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.508 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 3.7 t -61.38 -178.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -27.23 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -74.21 157.59 86.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.17 45.27 88.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' SER . 91.4 m95 -140.15 119.14 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.052 HD12 HG21 ' A' ' 63' ' ' VAL . 77.9 mt -89.27 144.74 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.3 tt0 -118.17 102.17 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.48 -169.78 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.427 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 75.4 m -122.83 112.65 18.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.0 tp -107.54 100.36 9.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 61.31 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.68 40.59 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -147.98 118.56 7.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.427 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 19.6 m -99.37 139.57 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -162.35 -172.12 29.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 64.7 mt -91.06 140.72 29.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.2 mt -132.25 140.75 38.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.0 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.8 -22.03 66.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -90.26 20.01 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.64 15.9 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.052 HG21 HD12 ' A' ' 47' ' ' LEU . 15.6 m -132.64 174.34 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.793 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.3 tt0 -154.9 86.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -38.97 131.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.32 -62.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.12 153.67 28.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.51 -170.21 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.21 90.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.7 m -52.8 133.75 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.22 163.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -142.01 -56.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.82 134.15 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -160.55 107.01 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -114.77 138.4 50.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.42 173.69 25.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.54 163.07 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.73 3.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 51.4 m-85 57.97 162.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.87 173.37 6.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -132.53 174.96 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -157.12 143.28 17.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -109.31 135.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -72.31 130.71 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -79.12 -43.8 23.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 18.1 m-85 -133.08 148.62 52.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 130.95 44.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.01 147.21 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.16 115.3 23.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.6 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.81 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -63.2 -86.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -179.41 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 t -72.73 -34.8 67.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -53.54 165.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 56' ' ' GLY . 26.6 mt -121.95 159.7 26.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -121.82 136.85 54.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p90 -162.32 -172.1 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.9 p -129.71 150.86 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.13 134.18 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.93 62.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.8 m -66.32 121.7 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 4.2 t -96.74 124.14 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 81.9 m-85 -92.41 131.42 37.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.87 138.2 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 10' ' ' PHE . 8.5 t-20 52.31 87.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 13' ' ' ALA . 61.7 t -110.07 149.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 3.6 p80 -163.11 165.21 15.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.06 3.47 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -62.0 -167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' CD ' ' OE2' ' A' ' 43' ' ' GLU . 1.5 pp0? -89.01 -26.77 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 42' ' ' GLN . 1.6 mp0 -71.51 156.63 91.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.78 3.18 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.52 46.0 34.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -141.81 123.07 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 63' ' ' VAL . 86.7 mt -90.87 152.96 20.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 13.0 tt0 -127.02 100.57 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 58' ' ' ILE . . . -137.81 -176.14 14.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 53' ' ' GLY . 88.0 m -110.26 138.8 46.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.59 -66.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.24 55.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 50' ' ' THR . . . 96.94 -4.97 63.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -113.68 138.09 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -114.33 146.59 40.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.13 -163.7 25.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 92.4 mt -94.22 138.65 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 0.725 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 59' ' ' PRO . 6.3 mt -130.1 140.71 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.03 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.7 tt0 -63.22 -22.39 66.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -89.67 19.66 4.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.01 12.58 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.059 HG21 HD12 ' A' ' 47' ' ' LEU . 17.0 m -130.85 173.26 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.58 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -154.39 88.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -40.32 135.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.74 140.75 30.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.03 131.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.65 -145.44 16.52 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -122.85 131.53 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m -152.37 115.16 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.35 131.52 41.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -68.67 135.4 51.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.27 167.21 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 64.39 161.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -99.97 115.62 30.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.051 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.77 173.48 32.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.7 p -117.87 155.37 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.734 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.14 6.07 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 98.3 m-85 -155.86 -178.76 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -103.52 162.15 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -138.6 159.39 42.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -135.7 156.0 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -119.2 129.5 55.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.98 126.46 28.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -75.25 -42.76 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 31.1 m-85 -131.19 159.97 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 127.58 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 2.5 t -124.11 137.66 54.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -110.38 78.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.7 175.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -156.5 -44.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -58.27 155.43 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.0 68.33 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t 179.21 -48.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.9 159.54 8.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' CG1' ' A' ' 58' ' ' ILE . 22.7 mt -114.18 146.64 40.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 51' ' ' LEU . 2.8 m -111.47 133.79 53.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 8.4 p90 -159.43 -172.1 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 p -125.91 156.04 40.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 130.57 36.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.81 -11.33 59.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -68.45 121.44 16.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.421 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -91.55 131.41 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 83.8 m-85 -100.21 137.95 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.42 142.65 28.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 43.45 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 13' ' ' ALA . 55.1 t -105.12 146.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -165.35 159.75 14.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -74.99 112.8 3.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.42 -155.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.965 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -90.7 -26.53 19.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -81.52 147.25 59.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.12 8.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.11 21.39 70.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.604 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.9 m95 -129.98 126.59 38.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.955 HD12 HG21 ' A' ' 63' ' ' VAL . 60.0 mt -100.16 157.39 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.626 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 12.7 tt0 -128.24 99.68 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -119.52 -174.76 15.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.2 m -117.27 111.95 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 28' ' ' SER . 11.5 tp -111.51 102.17 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.08 74.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.57 36.86 0.47 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -142.01 120.97 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -104.16 140.92 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.515 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.41 -170.2 31.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.35 145.65 25.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.605 ' CG1' HD12 ' A' ' 27' ' ' LEU . 35.3 mt -135.71 140.7 34.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 3.5 tt0 -58.68 -21.96 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -89.19 18.27 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -140.24 12.15 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.955 HG21 HD12 ' A' ' 47' ' ' LEU . 4.7 m -130.29 170.99 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.688 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -152.72 89.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -42.0 137.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.24 167.02 11.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.2 p -170.44 160.29 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.039 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.96 152.23 18.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -159.01 137.23 10.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.02 152.32 20.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.79 115.72 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 p -101.13 140.86 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.28 -134.43 12.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -176.36 114.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 0.729 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -46.92 -60.97 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.31 166.83 0.17 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' HD2' ' A' ' 9' ' ' PRO . 18.5 m -100.91 144.47 28.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 110.396 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.95 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 97.5 m-85 -44.02 168.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -91.29 166.6 12.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -137.45 146.82 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -127.06 153.25 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -116.68 132.04 56.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . . . -71.78 129.35 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 64' ' ' GLU . 40.8 mt -81.48 -49.85 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.0 m-85 -119.45 162.77 18.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.51 133.78 34.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -131.59 150.19 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -111.17 48.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 40.32 89.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -10.15 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.603 ' CE1' ' OG ' ' A' ' 25' ' ' SER . 4.8 t-160 -145.63 135.66 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.633 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' HIS . 68.1 m-20 -37.44 -64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.603 ' OG ' ' CE1' ' A' ' 23' ' ' HIS . 17.1 m -42.31 -47.32 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' HIS . 72.9 mt-10 -59.54 159.57 8.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' N ' ' A' ' 56' ' ' GLY . 1.4 mt -108.12 166.82 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 3.0 m -116.79 151.84 35.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -173.14 -178.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.1 p -124.67 146.3 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.94 137.51 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.59 17.38 56.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -97.63 116.35 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.14 131.37 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' HE1' ' HB2' ' A' ' 15' ' ' ALA . 95.4 m-85 -100.78 135.38 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.3 129.16 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.602 ' OD1' ' CD1' ' A' ' 10' ' ' PHE . 7.1 t-20 61.89 86.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 13' ' ' ALA . 72.0 t -112.17 142.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -157.94 166.33 16.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.46 4.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -67.4 -178.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -73.2 -32.98 65.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.24 152.71 90.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.9 33.68 87.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -135.24 121.92 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.026 HD12 HG21 ' A' ' 63' ' ' VAL . 85.2 mt -93.66 154.18 17.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 3.3 tt0 -125.75 104.17 8.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.86 -172.65 13.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.0 m -115.04 144.01 44.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.431 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 28' ' ' SER . 5.2 tp -115.42 -65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.28 84.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 48.3 24.37 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -141.25 127.78 20.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -107.08 143.5 35.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.673 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.03 -166.24 26.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 79.0 mt -87.46 143.57 27.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 59' ' ' PRO . 17.6 mt -133.67 141.33 39.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.96 121.4 6.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.77 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.1 tt0 -66.12 -22.5 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -88.4 17.27 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.86 10.0 2.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.026 HG21 HD12 ' A' ' 47' ' ' LEU . 12.9 m -129.79 171.08 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.6 tt0 -152.44 86.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -38.56 135.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -104.58 144.72 31.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 t 60.04 159.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.68 -168.89 41.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.98 5.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.9 t -135.49 87.7 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -175.55 -58.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 p -143.83 102.82 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -52.53 147.83 7.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 148.85 19.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -139.86 84.97 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.6 -49.8 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.47 134.94 52.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.9 p -104.72 105.35 50.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.364 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.73 4.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.0 p90 178.56 -177.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -121.1 177.42 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.79 -172.23 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -169.77 144.21 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.5 ttpp -109.67 134.4 52.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -72.27 128.72 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 64' ' ' GLU . 44.2 mt -76.43 -49.13 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.8 m-85 -126.06 159.14 33.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 130.16 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.55 149.53 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.74 109.59 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.72 169.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -146.52 -45.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -70.58 -81.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.8 t70 176.56 -54.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -59.75 -31.4 69.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.8 165.81 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD12 ' CG1' ' A' ' 58' ' ' ILE . 62.4 mt -119.67 152.98 36.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 m -122.73 135.06 54.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.2 p90 -159.16 -174.56 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.2 p -122.4 148.59 44.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.25 136.22 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.14 22.49 38.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -102.86 122.52 44.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 66' ' ' LEU . 2.8 t -89.52 136.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.9 m-85 -106.42 123.04 47.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.57 142.53 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 44.47 88.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 13' ' ' ALA . 63.3 t -106.41 153.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -174.24 159.29 2.74 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.549 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.3 p -56.36 -162.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.42 -22.37 28.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -80.36 146.01 60.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' CA ' ' OE2' ' A' ' 60' ' ' GLU . . . 84.24 32.24 23.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 93.6 m95 -139.51 129.13 24.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.92 HD12 HG21 ' A' ' 63' ' ' VAL . 21.6 mt -98.86 158.4 15.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.613 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 8.3 tt0 -132.33 103.53 6.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.36 -170.25 12.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.6 m -117.2 139.12 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -142.53 110.95 6.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 54.17 63.15 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 46.34 39.37 9.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -144.16 119.45 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 m -104.73 144.29 31.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.87 -167.77 30.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.3 147.5 25.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 0.725 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.648 ' CG1' HD12 ' A' ' 27' ' ' LEU . 53.1 mt -137.01 140.05 30.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.0 Cg_endo -75.01 105.52 2.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' OE2' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -53.73 -20.29 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 3.2 p-10 -89.58 16.66 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -138.2 15.1 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.92 HG21 HD12 ' A' ' 47' ' ' LEU . 29.9 m -129.78 172.17 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.811 ' HB2' HD21 ' A' ' 16' ' ' LEU . 3.0 tt0 -153.12 87.56 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -37.92 135.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.597 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -99.91 -177.02 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 p 173.99 137.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.85 158.53 14.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 76.28 3.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.64 114.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.47 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -141.06 156.5 45.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.11 106.1 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 130.93 7.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -132.47 80.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -127.62 159.25 35.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 8' ' ' THR . . . -158.28 155.65 26.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 7' ' ' GLY . 3.1 p 56.39 162.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.434 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 60.79 5.55 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.451 1.764 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 58.61 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -95.57 162.94 13.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -135.16 153.25 52.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -130.84 150.53 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.24 127.41 54.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.06 122.26 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.859 HD21 ' HB2' ' A' ' 64' ' ' GLU . 50.3 mt -70.4 -49.48 48.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 7.0 m-85 -125.94 149.73 48.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 130.68 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -128.23 132.77 48.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 108.281 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -101.5 88.06 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.88 177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -163.39 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -65.06 149.58 49.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.59 69.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 t 179.58 -48.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -63.63 161.9 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.3 mt -118.07 146.69 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.4 p -105.21 131.09 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -156.45 174.05 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p -115.83 146.89 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.09 129.97 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.5 23.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -52.95 125.96 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.355 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 21.7 t -100.98 125.83 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -94.79 152.0 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.58 145.47 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 40.02 84.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 13' ' ' ALA . 57.9 t -98.04 136.94 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -155.91 160.0 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.55 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.02 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -56.44 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -88.68 -14.4 37.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 152.85 45.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 126.07 9.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.57 33.75 85.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -135.86 123.89 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.91 HD12 HG21 ' A' ' 63' ' ' VAL . 60.7 mt -97.67 152.34 19.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 16.0 tt0 -125.01 97.66 5.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -112.87 -175.45 19.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -120.62 102.29 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.1 tp -97.39 100.44 11.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.34 75.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.87 37.85 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 ttpm? -142.17 120.03 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 m -100.38 139.73 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -163.61 -173.94 32.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.54 142.34 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.1 mt -133.37 140.39 36.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 9.4 tt0 -57.86 -22.38 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -89.31 19.31 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.8 15.0 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.91 HG21 HD12 ' A' ' 47' ' ' LEU . 22.2 m -130.83 168.19 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.859 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.32 88.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -40.26 137.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.23 69.91 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -165.61 159.61 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.03 114.77 2.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 65.81 6.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.5 112.58 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -88.57 140.17 29.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -92.67 -58.87 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -76.48 161.9 28.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.69 -89.71 1.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 m 53.43 82.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -141.02 112.15 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 176.96 21.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.4 163.02 18.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 69.8 m-85 -44.98 170.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -84.56 162.14 19.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -138.04 146.69 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.61 152.01 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -113.52 132.16 55.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -68.29 129.78 40.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 64' ' ' GLU . 46.5 mt -79.42 -49.5 12.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.547 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.9 m-85 -126.92 149.72 49.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 127.89 34.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -127.15 135.41 50.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 108.263 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 108.83 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.27 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.47 -40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -55.74 -79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.15 -38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 t -85.92 -30.07 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 66.2 mm-40 -64.89 161.42 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 56' ' ' GLY . 16.5 mt -114.2 163.06 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 p -123.48 136.87 54.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 6.7 p90 -161.69 -173.92 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.5 p -125.24 154.72 41.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 136.32 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.71 19.62 47.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -99.74 117.5 34.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 0.72 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG22 HD11 ' A' ' 66' ' ' LEU . 11.6 t -88.11 126.2 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 88.8 m-85 -95.62 128.69 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.59 136.52 35.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' OD1' ' CG ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 55.09 87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.52 148.67 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -165.71 166.4 10.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.03 5.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.507 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 8.3 t -66.96 -160.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -92.47 -18.95 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -88.18 151.01 48.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.53 5.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.32 27.44 55.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 90.9 m95 -132.92 130.02 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 63' ' ' VAL . 66.1 mt -100.54 161.0 13.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -131.41 98.84 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.92 -175.86 14.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.6 m -110.76 152.82 26.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -119.75 -68.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -130.93 77.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.59 24.67 57.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 50' ' ' THR . 3.0 ttpt -140.41 143.73 35.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.3 m -120.44 143.9 48.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.528 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -168.53 -164.8 24.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 84.8 mt -89.01 144.16 26.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 41.9 mt -135.12 139.94 33.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.0 117.8 5.04 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -62.14 -23.14 66.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 4.3 p30 -88.14 18.1 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -139.02 10.69 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 47' ' ' LEU . 11.1 m -130.49 171.93 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.1 tt0 -152.8 89.36 1.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -41.82 129.81 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -90.43 94.0 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.6 t -138.31 -53.2 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.063 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.4 130.81 10.48 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 77.7 3.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.0 p -154.93 106.12 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.05 115.42 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -125.21 144.32 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 0.806 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 58.15 88.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.21 -168.68 24.47 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -131.11 97.31 4.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.044 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.9 p -115.09 80.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.42 -115.53 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.3 p -57.25 159.15 8.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.726 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 65.43 6.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 56.16 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.98 159.46 20.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.93 160.5 33.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -137.26 153.45 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.64 129.47 54.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.42 132.97 50.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.853 HD21 ' HB2' ' A' ' 64' ' ' GLU . 63.6 mt -82.5 -45.49 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 12.2 m-85 -130.88 145.92 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.22 127.85 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -126.58 133.84 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.272 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.78 111.01 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . -50.15 178.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -178.67 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -62.56 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -107.06 -7.86 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.14 33.93 2.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -110.69 167.75 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 58' ' ' ILE . 63.5 mt -124.57 149.29 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.2 p -117.53 134.34 54.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 10.9 p90 -158.12 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.0 p -124.87 146.52 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.81 123.67 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.52 -22.25 22.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 m -59.68 128.95 39.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 110.41 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 52.8 t -102.21 133.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CZ ' ' CD2' ' A' ' 29' ' ' PHE . 66.4 m-85 -100.64 152.58 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.25 144.61 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 40.22 84.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 13' ' ' ALA . 53.1 t -96.57 147.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -169.69 159.14 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.01 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 2.2 t -59.4 -151.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -99.05 -13.52 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -90.33 150.13 42.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.61 28.14 63.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 92.3 m95 -133.07 135.56 45.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.934 HD12 HG21 ' A' ' 63' ' ' VAL . 23.6 mt -109.7 157.25 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 6.4 tt0 -127.34 105.54 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.41 177.03 16.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 m -111.18 108.77 18.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.33 99.41 8.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLY . 12.1 m-80 60.05 76.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.03 40.5 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -142.58 119.1 10.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 m -99.06 142.55 30.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.07 -174.41 38.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.96 152.23 22.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 59' ' ' PRO . 66.3 mt -139.88 137.58 18.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.96 108.69 2.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.59 -23.29 10.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -88.34 18.89 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -142.42 21.16 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 47' ' ' LEU . 12.5 m -136.87 169.55 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.853 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.8 tt0 -150.56 86.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -39.35 133.76 1.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.88 91.45 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.62 149.79 25.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.7 -169.71 12.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.24 5.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -75.53 142.71 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p -150.76 166.59 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.78 85.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.783 . . . . 0.0 110.037 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.9 130.45 42.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 100.47 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -159.02 143.19 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -119.31 144.97 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.77 112.64 4.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.524 HG22 ' HD2' ' A' ' 9' ' ' PRO . 17.5 m 61.71 144.42 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.387 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.98 -159.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -75.02 -171.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.19 165.18 13.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -130.39 152.86 49.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -131.1 152.67 50.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -119.0 132.45 56.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.56 134.46 51.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 64' ' ' GLU . 70.6 mt -84.05 -46.08 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 11.3 m-85 -130.9 140.94 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 129.92 44.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 1.7 t -125.39 134.97 51.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.19 104.48 16.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' ' 28' ' ' SER . . . -41.35 113.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -123.52 20.0 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -117.61 -164.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.1 -24.2 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.81 36.06 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' OE2' ' CZ3' ' A' ' 46' ' ' TRP . 5.0 mt-10 -109.79 173.38 6.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD21 ' HA3' ' A' ' 56' ' ' GLY . 20.7 mt -125.67 146.2 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 78.3 p -109.69 133.35 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -163.96 170.52 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -105.86 169.51 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.08 129.84 41.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.47 -19.92 38.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.112 . . . . 0.0 110.954 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.5 m -57.36 129.6 42.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 41.6 t -99.67 139.73 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 51' ' ' LEU . 87.7 m-85 -108.08 146.8 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.94 143.34 26.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.99 88.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.1 t -103.59 140.76 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.32 167.18 15.04 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.48 3.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 57' ' ' LEU . 1.7 t -62.89 172.0 1.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.23 -22.09 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -85.46 152.14 57.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 126.78 10.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.68 33.59 84.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 92.4 m95 -136.0 121.96 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 63' ' ' VAL . 86.8 mt -93.65 146.05 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 10.2 tt0 -116.91 99.18 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.57 -176.6 16.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 m -120.89 104.02 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 110.377 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 35' ' ' PHE . 10.4 tp -101.1 127.23 47.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 51' ' ' LEU . 8.2 p30 41.76 67.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.89 25.69 0.68 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.8 ttpp -129.96 117.36 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.1 m -96.42 144.4 26.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.571 ' HA3' HD21 ' A' ' 27' ' ' LEU . . . -168.83 -166.38 27.8 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 83.8 mt -95.86 140.97 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 59' ' ' PRO . 14.7 mt -131.94 140.31 37.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 118.88 5.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.7 tt0 -62.09 -23.43 66.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -88.52 19.38 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.61 16.27 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 47' ' ' LEU . 18.0 m -132.36 171.25 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.73 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -153.59 88.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -38.4 136.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -97.28 169.22 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -178.9 147.54 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.01 157.1 23.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.93 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m 53.29 81.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.4 m 59.82 86.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p 45.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -94.71 158.5 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.98 142.44 1.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.2 118.31 14.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -44.64 -58.29 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.17 136.96 23.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 9' ' ' PRO . 17.4 m -58.85 144.48 81.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.97 -159.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -76.71 -174.86 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.82 171.31 8.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -134.55 164.37 27.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' VAL . . . -143.71 151.12 39.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.57 126.72 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.56 122.81 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 64' ' ' GLU . 52.2 mt -69.75 -49.58 51.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.0 m-85 -126.79 151.92 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.98 132.68 47.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -133.58 148.9 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 109.41 14.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.47 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -164.41 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -56.76 -83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 176.6 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -76.2 -31.72 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.963 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.75 168.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 56' ' ' GLY . 9.4 mt -126.04 163.22 23.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 p -123.63 129.66 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.24 171.79 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.8 p -110.26 145.44 37.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.98 137.74 2.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.91 -22.03 42.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -57.23 130.26 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 15.3 t -100.0 135.89 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.21 139.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.29 145.57 25.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 42.39 86.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.94 158.8 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.9 p-80 -178.86 159.73 1.02 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.98 109.86 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.37 -163.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -18.48 31.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -85.58 147.69 47.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.18 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.77 28.46 62.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 91.3 m95 -134.16 133.68 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.031 HD12 HG21 ' A' ' 63' ' ' VAL . 50.5 mt -105.45 154.76 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.624 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 tt0 -125.04 105.64 9.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.25 -176.8 14.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -114.26 140.21 48.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 0.806 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tp -143.72 109.55 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 58.52 70.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.63 40.03 1.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.132 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -145.96 141.46 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -120.81 147.42 45.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.356 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.48 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -169.03 -165.76 26.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' OE2' ' A' ' 48' ' ' GLU . 81.5 mt -97.65 144.77 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG23 ' HD2' ' A' ' 59' ' ' PRO . 9.5 mt -132.0 140.2 37.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 63' ' ' VAL . 3.2 tt0 -57.13 -22.37 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -89.18 18.98 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.76 12.88 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.031 HG21 HD12 ' A' ' 47' ' ' LEU . 18.8 m -130.94 169.08 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -148.31 86.95 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -39.25 132.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.04 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.05 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.13 155.97 18.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.98 24.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.822 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 p 52.56 174.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.19 128.07 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -167.78 166.77 13.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.95 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -77.14 167.27 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.78 -117.47 10.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -159.5 127.06 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -39.47 -56.46 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.18 174.71 41.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HD2' ' A' ' 9' ' ' PRO . 4.9 t -92.4 147.15 33.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD2' ' OG1' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -159.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.565 1.824 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -65.56 -177.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.47 174.66 5.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -140.13 149.12 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.97 152.41 47.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -118.47 127.49 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -65.65 128.95 38.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.8 mt -77.54 -44.87 27.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 23.3 m-85 -129.61 152.59 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 133.95 47.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -137.04 152.26 49.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 108.325 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.97 116.41 20.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.27 137.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.92 24.99 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -143.0 -79.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.524 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 175.23 -57.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 t -61.96 -33.19 73.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.79 159.85 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.5 mt -117.48 154.53 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 m -113.62 135.82 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -157.59 -176.81 6.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.8 p -122.46 146.31 47.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 133.17 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.37 -12.58 63.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -65.32 122.78 17.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 27.1 t -95.85 124.07 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.07 150.11 21.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.06 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASN . 1.2 m-20 -95.92 144.22 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER 39.84 88.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 13' ' ' ALA . 54.4 t -102.14 153.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -172.22 159.28 4.25 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.553 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 41' ' ' SER . 18.4 Cg_endo -74.95 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -56.79 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -89.34 -13.41 37.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -90.99 153.63 44.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 128.33 11.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.13 37.09 94.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.586 1.178 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -138.05 124.76 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.009 HD12 HG21 ' A' ' 63' ' ' VAL . 58.5 mt -99.93 147.08 25.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.623 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 9.4 tt0 -119.46 101.86 8.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -120.12 -175.37 15.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.8 m -119.07 116.56 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.58 105.51 11.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.1 m-80 61.08 73.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . 37.42 37.81 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -143.03 121.7 12.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -103.62 143.91 32.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.79 -171.0 33.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.8 mt -89.67 145.98 24.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.588 HG23 ' HD2' ' A' ' 59' ' ' PRO . 35.0 mt -135.33 140.14 33.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -75.04 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 63' ' ' VAL . 8.8 tt0 -59.31 -22.12 60.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -88.81 17.84 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -139.78 11.83 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.009 HG21 HD12 ' A' ' 47' ' ' LEU . 16.0 m -130.44 166.74 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.808 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -146.89 90.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -41.42 137.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.53 109.76 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -91.29 129.16 37.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.03 174.43 51.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.17 41.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.35 90.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.59 91.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -131.42 -58.78 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.24 164.83 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -72.03 -121.64 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -67.31 73.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.007 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -90.6 91.09 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.27 162.14 11.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.3 t -54.31 145.97 34.16 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -159.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 78.7 m-85 -47.08 173.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 168.21 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.241 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -136.06 163.41 30.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -142.86 145.85 33.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' HD21 ' A' ' 66' ' ' LEU . 15.1 ttpp -110.43 128.96 55.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -67.54 130.82 44.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -80.4 -49.53 11.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.0 m-85 -127.29 148.64 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.11 129.4 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -121.41 146.38 46.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.41 117.01 27.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.62 178.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.86 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -75.4 -82.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 25.9 t70 177.19 -49.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -66.48 -37.0 84.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.2 160.07 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 56' ' ' GLY . 92.3 mt -114.04 158.95 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.9 p -124.93 132.72 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.441 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 6.0 p90 -160.42 -174.54 4.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.0 p -121.14 155.15 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.67 138.66 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.72 19.33 54.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -99.38 122.32 42.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 110.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 66' ' ' LEU . 3.0 t -88.56 138.71 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 96.9 m-85 -110.07 129.96 55.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.68 144.97 34.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' OD1' ' CG ' ' A' ' 10' ' ' PHE . 8.7 t-20 42.3 89.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' A' ' 13' ' ' ALA . 78.5 t -108.7 134.27 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 7.8 p80 -150.66 163.06 25.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 111.77 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 4.1 p -57.19 -161.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -90.46 -27.7 19.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.58 155.42 76.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.96 11.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.58 40.4 96.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -140.85 129.16 22.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.017 HD12 HG21 ' A' ' 63' ' ' VAL . 48.5 mt -103.08 144.84 30.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 17.9 tt0 -117.3 97.84 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 55' ' ' THR . . . -122.58 -168.02 13.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -119.73 142.82 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -145.14 104.7 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 60.08 64.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 47.06 36.0 8.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -142.16 125.32 16.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 49' ' ' GLY . 16.4 m -112.42 145.11 40.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -170.34 -166.66 29.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.33 142.68 27.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' HD2' ' A' ' 59' ' ' PRO . 24.3 mt -133.2 139.54 34.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.92 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 63' ' ' VAL . 6.3 tt0 -60.76 -22.38 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -87.91 16.58 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.59 9.94 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.017 HG21 HD12 ' A' ' 47' ' ' LEU . 16.8 m -129.7 171.6 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.9 89.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -38.62 137.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD11 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -97.68 96.22 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -130.15 -62.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.77 -166.34 54.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.26 31.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m 55.41 102.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -172.14 162.37 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -150.53 129.45 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -91.27 152.72 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.84 148.03 7.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -135.96 167.8 20.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.051 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.48 167.19 27.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.23 163.09 30.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.6 p -134.48 154.53 79.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.579 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.5 Cg_endo -74.96 55.86 4.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 9' ' ' PRO . 23.7 m-85 -147.53 -176.99 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.67 -176.55 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -146.06 159.79 42.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -145.12 145.91 31.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' GLU . 11.3 ttpp -109.74 132.76 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -71.15 130.37 41.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 64' ' ' GLU . 58.7 mt -79.17 -50.36 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 15.4 m-85 -125.13 153.98 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.25 127.38 32.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.72 44.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -123.9 109.53 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.43 143.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.49 10.45 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -133.1 -74.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.629 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER 170.29 -55.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -39.31 85.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.09 161.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.0 mt -113.82 144.67 42.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 p -111.22 125.61 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CE2' ' CZ ' ' A' ' 35' ' ' PHE . 5.8 p90 -153.46 -172.22 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.7 p -124.52 153.27 42.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.3 139.77 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.1 65.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -93.28 120.44 33.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.07 135.05 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 97.1 m-85 -106.69 123.1 47.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.43 135.7 37.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' ND2' ' CE2' ' A' ' 10' ' ' PHE . 8.9 t-20 55.6 86.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 13' ' ' ALA . 41.6 t -111.38 150.08 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.58 164.79 8.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 5.2 p -60.24 -160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -37.02 55.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.78 137.54 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 52.11 2.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.1 38.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -156.18 121.19 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 HG21 ' A' ' 63' ' ' VAL . 50.8 mt -88.11 143.64 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 41' ' ' SER . 15.2 tt0 -117.67 100.49 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.11 -168.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -117.5 144.4 45.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 0.771 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 tp -113.25 -69.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.35 76.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.37 19.28 39.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -135.91 136.0 40.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -111.07 146.4 36.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.97 -164.73 25.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.32 143.42 26.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 21.1 mt -133.71 137.9 29.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -74.99 105.67 2.13 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -53.94 -21.33 7.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -88.31 15.79 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -137.17 9.99 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.961 HG21 HD12 ' A' ' 47' ' ' LEU . 8.7 m -129.84 168.96 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -147.4 90.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -40.29 140.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.97 166.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.25 -66.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.68 -175.94 36.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -49.58 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -163.78 -57.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.7 m 49.02 85.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 61.85 104.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m -108.62 159.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.24 130.67 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.02 94.47 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.12 -57.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.79 174.87 17.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 p -131.18 157.44 78.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 18.3 Cg_endo -74.97 59.75 5.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 9' ' ' PRO . 21.4 m-85 -145.01 169.22 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -90.33 165.53 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -139.84 148.21 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -126.91 156.33 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -120.95 125.25 46.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 141.58 56.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 64' ' ' GLU . 82.7 mt -93.25 -46.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.73 150.94 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.409 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . -55.75 160.83 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -150.68 147.56 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -128.03 80.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.24 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.91 -43.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 29.0 t60 -69.16 164.48 22.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.659 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 39.6 m-20 -84.75 69.97 10.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.3 t 178.7 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -59.07 169.57 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 56' ' ' GLY . 5.0 mt -130.24 152.75 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.7 p -112.97 132.75 55.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 1.7 p90 -156.47 169.56 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 67.1 p -110.17 146.52 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.24 135.02 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.62 21.44 34.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 m -102.7 121.76 43.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 110.352 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.7 t -89.25 137.31 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.3 -177.7 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.57 136.49 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 45.06 79.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 13' ' ' ALA . 77.2 t -94.84 127.97 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 27.0 p80 -144.31 158.43 54.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -58.56 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -86.51 -15.53 39.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 7.5 mp0 -85.04 152.01 58.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.48 8.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 38.37 95.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -136.48 129.77 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.87 HD12 HG21 ' A' ' 63' ' ' VAL . 33.6 mt -101.31 150.1 23.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 3.0 tt0 -121.41 92.51 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' THR . . . -107.04 -169.48 22.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.3 m -131.61 100.3 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.443 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -97.52 109.85 22.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.81 70.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.77 42.17 2.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -145.87 120.18 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' GLY . 47.2 m -98.41 149.63 22.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -171.66 -169.75 34.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.5 mt -96.88 137.99 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.555 HG23 ' HD2' ' A' ' 59' ' ' PRO . 12.8 mt -131.87 140.13 37.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -75.02 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 6.7 tt0 -63.12 -17.64 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.66 16.0 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.02 8.61 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.87 HG21 HD12 ' A' ' 47' ' ' LEU . 4.8 m -126.42 167.49 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.7 tt0 -144.91 89.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -41.66 132.12 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -88.84 172.78 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 p -140.71 162.0 36.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.34 169.68 14.44 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.11 6.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.9 m 67.39 146.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m 63.2 84.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m -153.1 90.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.726 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -137.18 -59.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.79 -77.49 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.46 122.93 11.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -152.14 -53.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.3 -133.8 12.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.504 HG22 ' HD2' ' A' ' 9' ' ' PRO . 21.1 m -95.86 144.37 27.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HD2' HG22 ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 -159.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -77.01 -177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.5 165.27 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -127.04 165.41 19.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 38' ' ' VAL . . . -144.16 151.7 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -114.41 129.89 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -67.63 124.14 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 64' ' ' GLU . 53.6 mt -71.33 -47.4 56.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 13.1 m-85 -130.66 153.35 49.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.25 129.8 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -130.35 147.08 52.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.295 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -120.79 112.33 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' LYS . . . -50.09 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.369 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -166.72 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -62.28 -84.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.634 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 178.18 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -70.31 -33.23 71.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.41 164.93 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 56' ' ' GLY . 11.8 mt -121.45 168.89 11.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 p -126.79 128.82 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -153.22 -179.11 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.3 p -124.25 147.74 47.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.406 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.81 135.99 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.37 11.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -48.62 126.58 12.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 24.1 t -101.31 114.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -79.3 158.04 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.83 141.9 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 44.82 87.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' CB ' ' A' ' 13' ' ' ALA . 70.7 t -100.68 135.23 37.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 48' ' ' GLU . 25.2 p80 -157.14 159.02 31.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.504 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -55.71 -72.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.95 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.602 ' OE1' ' CD1' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -62.2 155.96 62.45 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 111.86 3.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.11 47.54 9.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 98.9 m95 -149.36 138.84 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 63' ' ' VAL . 6.8 mt -117.97 155.92 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 6.9 tt0 -117.82 99.93 7.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.88 178.81 16.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -118.19 131.77 56.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.788 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -137.99 114.66 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 60.28 63.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.88 31.56 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.482 1.113 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -135.01 136.29 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 m -116.02 145.23 43.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.76 -166.35 26.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.9 mt -92.71 147.56 22.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 59' ' ' PRO . 32.5 mt -134.23 138.73 31.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.2 Cg_endo -75.07 106.38 2.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.458 1.768 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -52.38 -22.18 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -89.38 19.26 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -141.75 18.03 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.725 HG21 HD12 ' A' ' 47' ' ' LEU . 5.4 m -135.73 167.44 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.868 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.2 tt0 -146.97 87.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -38.89 135.47 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.46 -178.99 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.32 175.79 41.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 68.37 5.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.3 88.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.42 127.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -163.99 -56.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 62.15 82.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.91 -175.46 41.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 p -113.67 -58.77 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 -58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.09 179.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.4 p -127.38 153.7 77.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.96 6.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 55.57 171.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.89 171.2 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -139.93 166.45 24.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -139.35 154.35 47.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.85 120.79 35.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -57.15 128.63 37.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD21 ' HB2' ' A' ' 64' ' ' GLU . 65.1 mt -78.66 -45.95 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 14.5 m-85 -128.88 146.07 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.04 130.71 45.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.35 139.22 49.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -112.07 107.32 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.77 175.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.27 -42.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -56.78 -86.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.8 t0 178.88 -53.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -68.6 -36.89 79.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -51.1 171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD11 ' N ' ' A' ' 56' ' ' GLY . 12.7 mt -128.4 149.35 50.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.3 p -111.44 135.56 51.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 11.2 p90 -162.65 177.41 9.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.4 p -118.98 148.6 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.32 130.71 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.68 -40.54 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.559 1.162 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -39.14 126.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.63 132.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE2' HD22 ' A' ' 51' ' ' LEU . 89.6 m-85 -100.29 131.59 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.96 132.87 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 54.37 86.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 13' ' ' ALA . 48.4 t -104.89 151.09 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 1.5 p-80 -168.47 159.99 8.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p -57.51 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -94.73 -14.7 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.55 156.56 62.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.43 5.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.36 45.44 90.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -141.77 123.6 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.025 HD12 HG21 ' A' ' 63' ' ' VAL . 40.9 mt -94.14 153.0 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.633 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 14.9 tt0 -128.05 99.92 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -122.7 -171.2 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 m -115.8 104.1 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.916 HD12 ' N ' ' A' ' 52' ' ' ASN . 1.2 tp -98.95 130.34 45.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.916 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.0 p-10 39.53 60.34 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.96 30.91 16.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 51' ' ' LEU . 51.4 tttt -136.08 118.54 15.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 m -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.565 ' N ' HD11 ' A' ' 27' ' ' LEU . . . -167.8 -167.99 29.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.54 142.77 27.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 59' ' ' PRO . 5.8 mt -132.74 140.05 36.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.3 Cg_endo -74.98 114.45 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 63' ' ' VAL . 10.9 tt0 -58.13 -22.86 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.14 19.6 4.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.55 14.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.025 HG21 HD12 ' A' ' 47' ' ' LEU . 27.6 m -128.18 172.17 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.787 ' HB2' HD21 ' A' ' 16' ' ' LEU . 1.6 tt0 -150.49 84.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -39.07 135.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.93 137.06 40.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -165.07 163.94 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.28 157.45 26.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.25 13.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.07 109.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.74 -58.66 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t 54.66 104.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.25 139.12 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.4 63.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -148.08 -56.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 65.39 163.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -101.79 2.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.2 t -152.31 146.05 18.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.408 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -159.99 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -53.11 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.86 -174.97 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -145.43 178.9 7.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -164.03 146.84 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -112.15 128.49 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -66.94 130.58 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 64' ' ' GLU . 39.9 mt -80.19 -49.83 11.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 5.5 m-85 -128.11 149.89 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 131.68 47.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -131.86 151.9 51.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.21 160.2 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 93.7 3.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.22 22.58 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -131.85 -165.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.608 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.99 -12.17 16.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.17 41.24 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -110.23 164.07 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 HD12 ' CG1' ' A' ' 58' ' ' ILE . 8.6 mt -113.76 160.02 19.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -124.22 126.13 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' HB3' HD22 ' A' ' 51' ' ' LEU . 7.8 p90 -150.23 -174.73 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -127.09 150.24 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.73 136.49 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.69 31.04 16.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.576 ' CG2' HD13 ' A' ' 51' ' ' LEU . 2.6 m -113.08 118.97 36.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 110.387 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -86.09 128.94 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 15' ' ' ALA . 93.8 m-85 -100.13 117.55 34.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.91 130.21 38.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.5 85.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 13' ' ' ALA . 58.9 t -111.24 132.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -150.91 161.14 30.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.641 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -53.81 -70.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.1 OUTLIER 167.15 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.39 165.66 22.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.03 61.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -144.8 133.85 22.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.743 HD12 HG21 ' A' ' 63' ' ' VAL . 8.3 mt -112.31 165.88 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 tt0 -130.17 93.67 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.1 -178.85 15.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 55' ' ' THR . 84.9 m -107.9 156.52 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 29' ' ' PHE . 8.3 tp -129.34 -65.24 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -129.21 76.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.27 25.96 34.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -142.13 141.05 32.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HG1' ' HG1' ' A' ' 50' ' ' THR . 79.5 m -115.89 150.19 37.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.57 -162.6 26.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 44.3 mt -86.28 148.19 25.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 59' ' ' PRO . 73.4 mt -139.43 139.31 22.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 58' ' ' ILE . 18.4 Cg_endo -74.98 109.2 2.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 4.7 tt0 -56.17 -22.64 30.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -88.55 18.07 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -139.09 11.34 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.743 HG21 HD12 ' A' ' 47' ' ' LEU . 6.2 m -130.51 167.33 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 16' ' ' LEU . 2.4 tt0 -146.62 88.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -40.34 131.45 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 115.41 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.1 m -105.65 141.35 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.02 133.15 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -58.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.93 92.1 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.44 98.61 7.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 -179.975 . . . . . . . . 0 0 . 1 stop_ save_